SCHEMBL14014342

SCHEMBL14014342

O=C(O)c1cc2nc(-c3ccccc3OCc3ccccc3)cc(-c3ccc(Cl)cc3)n2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PTGER1 P34995 10/20 0.52
FABP4 P15090 4/20 0.49
FABP3 P05413 2/20 0.49
MDM2 Q00987 3/20 0.46
TP53 P04637 2/20 0.46
TBXA2R P21731 1/20 0.45
MARS1 P56192 1/20 0.45
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL14014327 0.93 KDM4E (0.61) KDM4EALDH1A1PTGER1FABP4FABP3
SCHEMBL14014224 0.92 KDM4E (0.55) KDM4EALDH1A1PTGER1FABP4FABP3
SCHEMBL14014340 0.91 KDM4E (0.53) KDM4EALDH1A1PTGER1FABP4FABP3
SCHEMBL14014294 0.87 PTGER1 (0.52) KDM4EALDH1A1PTGER1TBXA2RMARS1
SCHEMBL14014226 0.86 ALDH1A1 (0.63) KDM4EALDH1A1MDM2TP53MCL1
SCHEMBL14014339 0.86 ALDH1A1 (0.63) KDM4EALDH1A1MDM2TP53MCL1
SCHEMBL14014334 0.86 KDM4E (0.59) KDM4EALDH1A1FABP4FABP3MDM2
SCHEMBL14014314 0.85 KDM4E (0.53) KDM4EALDH1A1PTGER1FABP4FABP3
SCHEMBL14014296 0.84 MARS1 (0.54) KDM4EALDH1A1MDM2MARS1MCL1
SCHEMBL14014330 0.82 ALDH1A1 (0.65) KDM4EALDH1A1TP53MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed