SCHEMBL7833385

SCHEMBL7833385

Nc1nc(Cc2ccc3c(c2)CCC3)nc2nc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
POLA1 P09884 3/20 0.43
PDPK1 O15530 1/20 0.42
GDA Q9Y2T3 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MGMT P16455 3/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
TLR7 Q9NYK1 4/20 0.36

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
Hydrochloric Acid SCHEMBL7834487 0.99 MPO (0.44) MPOPOLA1PDPK1GDAPDE4A
SCHEMBL7834202 0.81 MPO (0.45) MPOPOLA1TLR7
SCHEMBL7822681 0.78 NEK2 (0.46) POLA1PDPK1GDAPDE4APDE4B
SCHEMBL104931 0.76 PDE4A (0.64) POLA1PDPK1GDAPDE4APDE4B
SCHEMBL29557469 0.76 PDE4A (0.64) POLA1PDPK1GDAPDE4APDE4B
SCHEMBL7821785 0.76 POLA1 (0.46) POLA1PDPK1GDA
SCHEMBL448639 0.75 CDC7 (0.47) POLA1PDPK1GDAPDE4APDE4B
SCHEMBL288236 0.75 BRAF (0.48) PDPK1GDAPDE4APDE4BPDE4C
SCHEMBL1422155 0.73 MAPT (0.51) MPOPOLA1PDPK1GDAPDE4A
SCHEMBL1980128 0.73 PDPK1 (0.45) MPOPOLA1PDPK1GDAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP claimed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO claimed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP disclosed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO disclosed