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SCHEMBL19633571

SCHEMBL19633571

CCCCOc1ccc2c(Nc3cc(OC)cc(-c4cc(Nc5cccc(F)c5)c5ccc(OCCCC)cc5n4)c3)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.47
▸ ACP1 P24666 9/20 0.45
▸ GAK O14976 3/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ RIPK2 O43353 1/20 0.43
▸ COQ8A Q8NI60 1/20 0.43
▸ NLK Q9UBE8 1/20 0.43
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL19633548 0.85 GAK (0.48) TGFBR1GAKRIPK2COQ8ANLK
SCHEMBL19633572 0.82 GAK (0.46) TGFBR1GAKRIPK2COQ8ANLK
SCHEMBL19633568 0.81 GAK (0.58) TGFBR1GAKABCG2ABCB1RIPK2
SCHEMBL19633632 0.79 GAK (0.62) TGFBR1GAKRIPK2COQ8ANLK
SCHEMBL19633622 0.78 HTR1A (0.56) TGFBR1GAKABCG2ABCB1RIPK2
SCHEMBL19633636 0.77 FBP1 (0.51) TGFBR1GAKRIPK2COQ8ANLK
SCHEMBL19633566 0.74 SIRT2 (0.47) TGFBR1GAKABCG2MAP4K4
SCHEMBL19633647 0.74 GAK (0.66) TGFBR1GAKABCG2ABCB1RIPK2
SCHEMBL19633507 0.73 EGFR (0.60) GAKRIPK2COQ8ANLK
SCHEMBL19633703 0.73 GAK (0.60) TGFBR1GAKABCG2ABCB1RIPK2

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
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 — — WO disclosed