SCHEMBL14014646

SCHEMBL14014646

COc1ccc(Oc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAT P00750 4/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
PIK3CA P42336 1/20 0.32
FYN P06241 1/20 0.32
KDR P35968 2/20 0.31
LCK P06239 1/20 0.31
TEK Q02763 1/20 0.31
TTK P33981 1/20 0.31
MEN1 O00255 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
SCHEMBL4709333 0.88 TNK2 (0.38) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL14541774 0.85 NPC1 (0.33) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL14014701 0.85 KMT2A (0.37) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL14014652 0.84 LCK (0.39) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL14014671 0.84 BTK (0.33) KMT2ANPC1RAB9AMEN1
SCHEMBL14014681 0.83 PDE2A (0.34) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL14014641 0.83 GABBR2 (0.37) KMT2ANPC1RAB9APLAT
SCHEMBL14014643 0.83 GABBR2 (0.39) KMT2ANPC1RAB9APLAT
SCHEMBL14014697 0.83 NPC1 (0.32) KMT2ANPC1RAB9AMEN1
SCHEMBL14014550 0.83 TNK2 (0.41) PLATROCK2

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