SCHEMBL28864685

SCHEMBL28864685

Cc1cc2ncccc2cc1C(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.47
POLB P06746 2/20 0.40
PSMD14 O00487 1/20 0.40
TP53 P04637 1/20 0.40
MMP2 P08253 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL1163741 0.86 MET (0.50) METPDGFRBPDGFRA
SCHEMBL28680573 0.86 MET (0.50) METPDGFRBPDGFRA
SCHEMBL29870023 0.86 MET (0.50) METPDGFRBPDGFRA
SCHEMBL14872903 0.79 USP2 (0.43) TP53ALDH1A1LMNAUSP2TSHR
SCHEMBL20675604 0.76 ALDH1A1 (0.50) METPOLBTP53ATAD2ALDH1A1
SCHEMBL10285463 0.76 ATM (0.48) ALDH1A1TSHR
SCHEMBL28864697 0.75 MET (0.44) METPOLBTP53LMNA
SCHEMBL14870378 0.75 EGFR (0.42) ALDH1A1LMNAUSP2TSHR
SCHEMBL17718345 0.75 EGFR (0.42) ALDH1A1LMNAUSP2TSHR
SCHEMBL29869723 0.73 ALDH1A1 (0.47) METPOLBTP53ATAD2ALDH1A1

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-107312009-B Quinoline compound, preparation method, intermediate, pharmaceutical composition and application thereof 上海医药集团股份有限公司 2022-09-20 CN disclosed