SCHEMBL29999658

SCHEMBL29999658

CN1CCN(Cc2ccc(NC(=O)Nc3ncc(Br)cc3F)cc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.61
▸ FGFR4 P22455 5/20 0.59
▸ ABL1 P00519 8/20 0.58
▸ CDK1 P06493 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ CDK8 P49336 1/20 0.57
▸ ABL2 P42684 3/20 0.54
▸ RET P07949 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ KIT P10721 2/20 0.54
▸ EGFR P00533 1/20 0.53
▸ BRAF P15056 1/20 0.53

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
SCHEMBL27088051 1.00 SRC (0.61) SRCFGFR4ABL1CDK1CDK2
SCHEMBL27088041 0.86 FGFR4 (0.69) SRCFGFR4ABL1CDK1CDK2
SCHEMBL29998987 0.86 FGFR4 (0.69) SRCFGFR4ABL1CDK1CDK2
SCHEMBL24449225 0.82 SRC (0.61) SRCFGFR4ABL1CDK1CDK2
SCHEMBL27217711 0.82 SRC (0.59) SRCFGFR4ABL1CDK1CDK2
SCHEMBL19322516 0.81 SRC (0.58) SRCFGFR4ABL1CDK1CDK2
SCHEMBL20214701 0.80 ABL1 (0.65) SRCFGFR4ABL1CDK1CDK2
SCHEMBL24448252 0.80 SRC (0.63) SRCFGFR4ABL1CDK1CDK2
SCHEMBL24449086 0.79 SRC (0.62) SRCFGFR4ABL1CDK1CDK2
SCHEMBL15778120 0.79 SRC (0.55) SRCABL1CDK1CDK2CDK8

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
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — WO disclosed
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