SCHEMBL27982139

SCHEMBL27982139

NCc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(CN4CCOCC4)ccc3c12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.57
JAK2 O60674 4/20 0.50
AURKA O14965 3/20 0.50
LCK P06239 3/20 0.50
LYN P07948 3/20 0.50
KIT P10721 3/20 0.50
TEC P42680 3/20 0.50
TXK P42681 3/20 0.50
BMX P51813 3/20 0.50
ITK Q08881 3/20 0.50
TYK2 P29597 2/20 0.50
CDK2 P24941 3/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
AURKB Q96GD4 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL27982068 0.94 BTK (0.59) BTKJAK2AURKALCKLYN
SCHEMBL27857331 0.93 BTK (0.59) BTKJAK2AURKALCKLYN
SCHEMBL27982594 0.92 BTK (0.67) BTKJAK2AURKALCKLYN
SCHEMBL27982215 0.90 BTK (0.53) BTKJAK2AURKALCKLYN
SCHEMBL27982106 0.89 BTK (0.56) BTKJAK2AURKALCKLYN
SCHEMBL27982148 0.89 BTK (0.59) BTKJAK2AURKALCKLYN
SCHEMBL27857322 0.87 BTK (0.60) BTKJAK2AURKALCKLYN
SCHEMBL27982590 0.85 BTK (0.64) BTKJAK2AURKALCKLYN
SCHEMBL123651 0.84 BTK (0.70) BTKJAK2AURKALCKLYN
SCHEMBL27857248 0.84 BTK (0.62) BTKJAK2AURKALCKLYN

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
CN-102325753-B Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-09-10 CN claimed