SCHEMBL13044255

SCHEMBL13044255

Cc1c(NC(=O)c2ccc3c(c2)CCCC3(C)C)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCOCC3)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.42
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
KIT P10721 2/20 0.38
SRC P12931 2/20 0.38
FLT3 P36888 2/20 0.38
ITK Q08881 2/20 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
SCHEMBL1040923 0.92 BTK (0.42) BTKNPC1RAB9ARAF1BRAF
SCHEMBL1038537 0.84 BTK (0.56) BTKNPC1RAB9ASRCFLT3
SCHEMBL12956112 0.82 BTK (0.52) BTKRAB9A
SCHEMBL1042485 0.81 BTK (0.43) BTKNPC1RAB9AKITSRC
SCHEMBL1039939 0.81 BTK (0.51) BTKNPC1RAB9ARAF1BRAF
SCHEMBL1038028 0.81 BTK (0.49) BTKNPC1RAB9ASRC
SCHEMBL1038372 0.80 FLT3 (0.53) BTKKITSRCFLT3ITK
SCHEMBL12956116 0.80 BTK (0.50) BTKRAB9A
SCHEMBL1041847 0.79 BTK (0.52) BTKSRCFLT3ITK
SCHEMBL1038359 0.78 BTK (0.59) BTKKITSRCFLT3ITK

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
US-7838523-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed