SCHEMBL7426210

SCHEMBL7426210

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.46
F10 P00742 10/20 0.45
PLG P00747 7/20 0.43
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
BRPF1 P55201 2/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RAD52 P43351 1/20 0.38
IDH1 O75874 1/20 0.37
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ITK Q08881 1/20 0.36

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
SCHEMBL7427026 0.83 F2 (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL8028137 0.83 CNR2 (0.48) F2CNR2KDM4ERAD52IDH1
SCHEMBL7426354 0.83 F2 (0.55) F2F10PLGPRSS1PRSS2
SCHEMBL7981313 0.82 ALDH1A1 (0.44) F2F10PLGCNR2KDM4E
SCHEMBL7978111 0.81 F2 (0.44) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.78 F2 (0.72) F2F10PLGPRSS1PRSS2
SCHEMBL7981516 0.78 BRPF1 (0.42) F2F10PLGBRPF1CNR2
SCHEMBL6157976 0.77 NPC1 (0.59) F2CNR2KDM4ERAD52
SCHEMBL7981348 0.77 BRPF1 (0.56) F2BRPF1
SCHEMBL7984703 0.76 F2 (0.64) F2F10PLGPRSS1PRSS2

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed