SCHEMBL28440541

SCHEMBL28440541

CCOc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCC(=O)O.[LiH]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.75
▸ AXL P30530 8/20 0.75
▸ KDR P35968 8/20 0.75
▸ MERTK Q12866 6/20 0.70
▸ RET P07949 4/20 0.67
▸ KIT P10721 4/20 0.67
▸ FLT3 P36888 4/20 0.67
▸ HDAC2 Q92769 2/20 0.67
▸ HDAC8 Q9BY41 2/20 0.67
▸ HDAC6 Q9UBN7 2/20 0.67
▸ PDGFRB P09619 2/20 0.67
▸ HDAC10 Q969S8 1/20 0.65
▸ HDAC11 Q96DB2 1/20 0.65
▸ AURKA O14965 2/20 0.63
▸ RIPK2 O43353 2/20 0.63
▸ ABL1 P00519 2/20 0.63
▸ EGFR P00533 2/20 0.63
▸ ERBB2 P04626 2/20 0.63
▸ NTRK1 P04629 2/20 0.63
▸ LCK P06239 2/20 0.63

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
SCHEMBL21273454 0.99 MET (0.76) METAXLKDRMERTKRET
SCHEMBL21291871 0.98 MET (0.75) METAXLKDRMERTKRET
SCHEMBL28439963 0.98 MET (0.75) METAXLKDRMERTKRET
SCHEMBL21291874 0.98 MET (0.75) METAXLKDRMERTKRET
SCHEMBL28441829 0.98 MET (0.75) METAXLKDRMERTKRET
Ammonia Solution, Strong SCHEMBL21291867 0.98 MET (0.75) METAXLKDRMERTKRET
SCHEMBL21291869 0.95 MET (0.70) METAXLKDRMERTKRET
SCHEMBL28438360 0.94 MET (0.86) METAXLKDRMERTKRET
SCHEMBL20096226 0.93 MET (0.87) METAXLKDRMERTKRET
SCHEMBL21273565 0.92 MET (0.86) METAXLKDRMERTKRET

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
CN-109496212-B Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition and application thereof 北京康辰药业股份有限公司 2020-08-14 — — CN claimed
CN-109496212-B Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition and application thereof 北京康辰药业股份有限公司 2020-08-14 — — CN disclosed
Send feedback