SCHEMBL29194746

SCHEMBL29194746

COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)c2ccnc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ CETP P11597 2/20 0.38
▸ ABCB1 P08183 4/20 0.37
▸ MAPKAPK2 P49137 1/20 0.36
▸ QPCT Q16769 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 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
SCHEMBL30245083 1.00 KIT (0.39) KITVNN1CETPABCB1MAPKAPK2
SCHEMBL30245771 0.94 CETP (0.37) KITCETPABCB1QPCTF10
SCHEMBL30245164 0.94 NPC1 (0.38) KITABCB1QPCTFLT3JAK2
SCHEMBL25296124 0.94 NPC1 (0.38) KITABCB1QPCTFLT3JAK2
SCHEMBL25257583 0.94 CETP (0.37) KITCETPABCB1QPCTF10
SCHEMBL29194558 0.93 FGFR1 (0.42) KITCETPQPCTFLT3F10
SCHEMBL30245935 0.93 FGFR1 (0.42) KITCETPQPCTFLT3F10
SCHEMBL30245554 0.91 VNN1 (0.43) KITVNN1CETPABCB1MAPKAPK2
SCHEMBL25259271 0.90 KIT (0.42) KITVNN1CETPABCB1QPCT
SCHEMBL30246077 0.90 KIT (0.42) KITVNN1CETPABCB1QPCT

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-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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