SCHEMBL28229642

SCHEMBL28229642

[CH2]Cc1cn(C)cc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.36
AXL P30530 1/20 0.36
BRD4 O60885 2/20 0.36
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTGS2 P35354 7/20 0.33
CREBBP Q92793 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
ABCB1 P08183 1/20 0.31
PTGS1 P23219 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL24878447 0.87 MET (0.38) METAXLBRD4CSNK1DCSNK1E
SCHEMBL28199991 0.82 BRD4 (0.35) METAXLBRD4CSNK1DCSNK1E
SCHEMBL28200012 0.81 BRD4 (0.32) METBRD4
SCHEMBL11554969 0.77 BRD4 (0.43) METAXLBRD4PTGS2MAPT
SCHEMBL20351762 0.77 BRD4 (0.39) METAXLBRD4CSNK1DCSNK1E
SCHEMBL28199937 0.74 NR4A2 (0.33) METBRD4MAPT
SCHEMBL22200868 0.73 ALDH1A1 (0.40) METAXLBRD4CSNK1DCSNK1E
SCHEMBL26084053 0.73 MET (0.37) METAXLBRD4CSNK1DCSNK1E
SCHEMBL28200609 0.73 NFATC1 (0.40) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL2591376 0.72 MET (0.48) METAXLLMNA

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-108250200-A A kind of compound and its preparation and application with Axl inhibitory activity 中国科学院上海药物研究所 2018-07-06 CN disclosed