SCHEMBL3963331

SCHEMBL3963331

Cc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)cc1-c1cccc(C(N)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.45
CDK2 P24941 2/20 0.45
JAK2 O60674 2/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
KIT P10721 1/20 0.45
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45
BMX P51813 1/20 0.45
ITK Q08881 1/20 0.45
HPGD P15428 1/20 0.43
FASN P49327 1/20 0.43
BDKRB1 P46663 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
CDK6 Q00534 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL3963334 0.82 BTK (0.60) BTKHPGDFASN
SCHEMBL3654050 0.82 BTK (0.50) BTKBDKRB1KDM4ERAB9ATYK2
SCHEMBL3963743 0.77 BTK (0.54) BTKHPGDBDKRB1KDM4ERAB9A
SCHEMBL3963393 0.74 BTK (0.71) BTKKDM4ERAB9A
SCHEMBL3660016 0.74 BTK (0.62) BTKKDM4ERAB9ATYK2
SCHEMBL3968942 0.73 BTK (0.51) BTK
SCHEMBL17580874 0.72 BTK (0.72) BTKLCK
SCHEMBL5127683 0.72 BTK (0.62) BTKHPGDFASN
SCHEMBL3666556 0.71 BTK (0.60) BTKKDM4ERAB9A
SCHEMBL13893892 0.71 BTK (0.52) BTKHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081923-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed