SCHEMBL14014385

SCHEMBL14014385

CCOC(=O)c1cnn2c(-c3cccc(Oc4ccccc4)c3)c(-c3ccccc3)cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
TP53 P04637 1/20 0.55
STAT1 P42224 1/20 0.55
KDR P35968 1/20 0.51
TSHR P16473 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL14014459 0.92 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014404 0.88 HSD17B10 (0.45) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4708888 0.87 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4707484 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4709877 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014445 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014390 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14542155 0.80 RXFP1 (0.51) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014409 0.80 KDM4E (0.49) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014492 0.80 KDM4E (0.49) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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