SCHEMBL14014190

SCHEMBL14014190

COc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)O)nn12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 4/20 0.59
TP53 P04637 4/20 0.55
MAPT P10636 7/20 0.54
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
MARS1 P56192 1/20 0.49
HSD17B10 Q99714 2/20 0.48
DHODH Q02127 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MDM2 Q00987 1/20 0.45
TTR P02766 1/20 0.44

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
SCHEMBL14014251 0.92 KDM4E (0.69) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014334 0.92 KDM4E (0.59) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014201 0.91 KDM4E (0.60) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014245 0.90 KDM4E (0.57) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014229 0.89 KDM4E (0.58) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL22276918 0.88 TP53 (0.55) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014279 0.87 MAPT (0.59) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014224 0.86 KDM4E (0.55) KDM4EALDH1A1TP53CYP2C9HSD17B10
SCHEMBL14013938 0.86 KDM4E (0.65) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014241 0.85 KDM4E (0.52) KDM4EALDH1A1TP53MAPTHPGD

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 5 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
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO 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