SCHEMBL2789464

SCHEMBL2789464

COCCCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)cc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
CYP2C9 P11712 1/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
PRMT5 O14744 2/20 0.39
PIK3CD O00329 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
USP30 Q70CQ3 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL7901020 0.83 TRPV3 (0.41) HPGDSALOX5APFEN1USP30
SCHEMBL2791498 0.80 PIK3CD (0.39) HPGDSCYP2C9CCNKCDK12PRMT5
SCHEMBL2791374 0.80 CCNK (0.43) HPGDSCYP2C9CCNKCDK12CNR2
SCHEMBL2791496 0.80 PIK3CD (0.39) HPGDSCYP2C9CCNKCDK12PRMT5
SCHEMBL2789048 0.79 PIK3CD (0.39) HPGDSCYP2C9CCNKCDK12PRMT5
SCHEMBL2789050 0.79 PIK3CD (0.39) HPGDSCYP2C9CCNKCDK12PRMT5
SCHEMBL2789214 0.78 CNR2 (0.44) CCNKCDK12CNR2ALOX5APFEN1
SCHEMBL2791259 0.77 ALOX5AP (0.43) ALOX5APFEN1USP30JAK2JAK1
SCHEMBL741975 0.76 KCNH2 (0.52) HPGDS
SCHEMBL741974 0.76 KCNH2 (0.52) HPGDS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed