SCHEMBL14014686

SCHEMBL14014686

COc1ccc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ACVR2A P27037 1/20 0.31
TGFBR2 P37173 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PDE5A O76074 1/20 0.31
ALOX5 P09917 1/20 0.31
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31

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
SCHEMBL14014682 0.88 NPC1 (0.36) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL14014681 0.88 PDE2A (0.34) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
SCHEMBL14014615 0.88 MAOB (0.37) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL14014679 0.87 ALOX5 (0.37) MAPTALDH1A1LMNAALOX5
SCHEMBL14014668 0.86 S1PR1 (0.36) KMT2AALDH1A1MAPK1MEN1TSHR
SCHEMBL14542125 0.84 CYP4F2 (0.35) MAPTMAPK1ALOX5CMKLR1KDM4E
SCHEMBL14014796 0.84 BMP4 (0.36) KMT2AALDH1A1TGFBR2MAPK1MEN1
SCHEMBL14014662 0.84 SCN1A (0.36) ALOX5APGRM2
SCHEMBL14014780 0.83 LMNA (0.45) ALOX5APSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL14014660 0.83 CYP4F2 (0.36) ALOX5AP

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