SCHEMBL14039397

SCHEMBL14039397

CCCCOc1ccc(-c2cnc3c(C#N)cnn3c2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 4/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CSNK2A1 P68400 1/20 0.39
RECQL P46063 1/20 0.39
CYP2D6 P10635 4/20 0.39
CYP19A1 P11511 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14257271 0.86 KDM4E (0.47) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14039386 0.83 KDM4E (0.44) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL4708598 0.82 KDM4E (0.51) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14038870 0.81 KDM4E (0.43) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14039389 0.80 HRH3 (0.43) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14038851 0.79 KDM4E (0.41) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14014373 0.73 SMN1; SMN2 (0.65) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14039334 0.73 KDM4E (0.41) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL14014391 0.71 GRM2 (0.48) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL4709978 0.71 GRM2 (0.48) KDM4EALDH1A1POLBLMNARXFP1

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 3 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
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