SCHEMBL8052575

SCHEMBL8052575

Nc1nc(N)nc(C2CCC(c3nc(N)nc(N)n3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.45
CHRM3 P20309 8/20 0.34
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
HRH4 Q9H3N8 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASP1 P29466 1/20 0.32
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7193572 1.00 PDE10A (0.45) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL10407217 0.94 PDE10A (0.45) PDE10ACHRM3PDE4APDE4BPDE4C
Ammonia Solution, Strong SCHEMBL29008312 0.92 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL9489467 0.89 HRH4 (0.44) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL4838901 0.87 HRH2 (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL808435 0.87 HRH2 (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1914881 0.83 HRH4 (0.53) PDE10AHRH4MAPTALOX15HRH3
SCHEMBL10406959 0.83 PDE10A (0.47) PDE10APDE4AALOX15
SCHEMBL30784984 0.83 PIK3CA (0.39) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL10713573 0.83 PDE10A (0.47) PDE10ACHRM3PDE4APDE4BPDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634406-B1 DIGUANAMINE, AND PRODUCTION, DERIVATIVE AND USE THEREOF MITSUI CHEMICALS INC (JP) 2000-05-03 EP disclosed
US-5936048-A Method for preparing modified resins and their applications MITSUI CHEMICALS, INC. (JP) 1999-08-10 US disclosed
US-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed
EP-0698620-B1 Method for preparing modified resins and their applications MITSUI CHEMICALS INC (JP) 1998-12-09 EP disclosed
US-5792814-A REACTING A RESIN WITH A 5-((4,6-DIAMINO-S-TRIAZIN-2-YL)-NORBORN-2-ENE AND REACTING WITH AN EPOXIDE; FIREPROOFING; MOLDING MATERIALS MITSUI CHEMICALS, INC. (JP) 1998-08-11 US disclosed
US-5744504-A AMINO RESIN; THERMOSETTING MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 US disclosed
US-5674947-A HEATING RESIN WITH FUNCTIONALIZED NORBORNENE COMPOUND IN ABSENCE OF REACTION CATALYST OR INITIATOR MITSUI TOATSU CHEMICALS, INC. (JP) 1997-10-07 US disclosed
US-5648446-A ADHESIVES, FIREPROOFING, HEAT RESISTANCE IN RESINS FOR MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
US-5646240-A THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
US-5596039-A FLAME RETARDERS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-21 US disclosed
US-5569726-A USEFUL IN FLAME-RETARDING, THERMAL STABILIZATION AND COMPATIBILIZATION OF RESINS AND IN THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-10-29 US disclosed
US-5545702-A THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US disclosed
US-5536795-A ADHESIVES AND PAINTS AND FIREPROOFING THERMOSETTING RESINS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
EP-0698620-A1 Method for preparing modified resins and their applications MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-28 EP disclosed
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0634406-A1 DIGUANAMINE, AND PRODUCTION, DERIVATIVE AND USE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-18 EP disclosed
EP-0612777-A2 Thermosetting molding and expansion-forming compositions MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed
EP-0612797-A2 Modification method of resins MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed