SCHEMBL30813577

SCHEMBL30813577

COc1ccc(CNc2ncnc3c2c(-c2ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c4nccn24)cn3C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ SRC P12931 7/20 0.40
▸ ABL1 P00519 5/20 0.40
▸ FGFR4 P22455 5/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ BMX P51813 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ ABL2 P42684 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ MERTK Q12866 1/20 0.36

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
SCHEMBL27218020 1.00 KDR (0.42) KDRFGFR1SRCABL1FGFR4
SCHEMBL27218031 0.95 KDR (0.46) KDRFGFR1SRCABL1FGFR4
SCHEMBL30813532 0.95 KDR (0.46) KDRFGFR1SRCABL1FGFR4
SCHEMBL30813514 0.93 KDR (0.44) KDRFGFR1SRCABL1FGFR4
SCHEMBL27217738 0.93 KDR (0.44) KDRFGFR1SRCABL1FGFR4
SCHEMBL30813463 0.88 KDR (0.49) KDRFGFR1SRCABL1FGFR4
SCHEMBL27217964 0.88 KDR (0.49) KDRFGFR1SRCABL1FGFR4
SCHEMBL27217629 0.87 SRC (0.44) KDRFGFR1SRCABL1FGFR4
SCHEMBL30813429 0.86 KDR (0.46) KDRFGFR1SRCABL1FGFR4
SCHEMBL27217943 0.86 KDR (0.46) KDRFGFR1SRCABL1FGFR4

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-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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