SCHEMBL1384604

SCHEMBL1384604

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCCc4cccc(F)c4C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.55
MET P08581 4/20 0.46
BMPR1B O00238 2/20 0.44
BMPR1A P36894 2/20 0.44
ACVRL1 P37023 2/20 0.44
ACVR1 Q04771 2/20 0.44
TGFBR1 P36897 1/20 0.44
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
FYN P06241 1/20 0.41
SYK P43405 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IGF1R P08069 1/20 0.41
BDKRB1 P46663 1/20 0.41

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
SCHEMBL488288 0.92 KCNH2 (0.56) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL30454652 0.92 KCNH2 (0.56) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL488565 0.82 KCNH2 (0.55) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL30453581 0.82 KCNH2 (0.55) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL30453650 0.81 MET (0.65) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL488012 0.81 MET (0.65) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL488031 0.79 MET (0.57) METAXLMERTK
SCHEMBL30454737 0.79 MET (0.57) METAXLMERTK
SCHEMBL488207 0.78 MET (0.56) KCNH2MET
SCHEMBL30453281 0.78 MET (0.56) KCNH2MET

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
JP-4695588-B2 2011-06-08 JP claimed
JP-2006519232-A 2006-08-24 JP claimed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP claimed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO claimed