SCHEMBL8468432

SCHEMBL8468432

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
KCNH3 Q9ULD8 3/20 0.37
HTR1A P08908 7/20 0.36
DRD2 P14416 7/20 0.36
HTR2A P28223 7/20 0.36
HTR7 P34969 7/20 0.36
HTR6 P50406 7/20 0.36
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
HRH4 Q9H3N8 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL8467679 0.91 NUDT1 (0.36) NUDT1KCNH3HTR1ADRD2HTR2A
SCHEMBL8523425 0.89 HRH4 (0.40) CDK1HRH4
SCHEMBL8468640 0.88 HRH4 (0.40) CDK1HRH4
SCHEMBL8853173 0.87 KCNH3 (0.46) KCNH3CDK1CDK2
SCHEMBL8853145 0.87 CDK1 (0.35) NUDT1KCNH3HTR1ADRD2HTR2A
SCHEMBL6638595 0.83 NUDT1 (0.49) NUDT1KCNH3HTR1ADRD2HTR2A
SCHEMBL27559534 0.83 TLR8 (0.43) HRH4TLR8TLR7
SCHEMBL8713601 0.81 KMT2A (0.42) KCNH3HTR1ADRD2HTR2AHTR7
SCHEMBL8468290 0.80 KCNH3 (0.45) KCNH3HTR7
SCHEMBL8466184 0.80 KCNH3 (0.45) KCNH3HTR7HRH4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed
US-5744504-A AMINO RESIN; THERMOSETTING MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 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-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
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US 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