SCHEMBL10270906

SCHEMBL10270906

O=C[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3ccc(CN4CCCCC4)cc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 5/20 0.72
▸ IRAK4 Q9NWZ3 5/20 0.72
▸ IRAK1 P51617 4/20 0.72
▸ ALK Q9UM73 12/20 0.63
▸ SPR P35270 1/20 0.60
▸ MET P08581 1/20 0.59
▸ EGFR P00533 2/20 0.59

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
SCHEMBL10270813 0.91 MAP3K7 (0.74) MAP3K7IRAK4IRAK1ALKSPR
SCHEMBL10270581 0.90 SPR (0.75) MAP3K7IRAK4IRAK1ALKSPR
SCHEMBL572281 0.90 SPR (0.75) MAP3K7IRAK4IRAK1ALKSPR
SCHEMBL27907079 0.89 MAP3K7 (0.71) MAP3K7IRAK4IRAK1ALKSPR
SCHEMBL14971480 0.88 ALK (0.80) MAP3K7IRAK4IRAK1ALKSPR
SCHEMBL15200278 0.86 ALK (0.81) MAP3K7IRAK4IRAK1ALKSPR
SCHEMBL21025707 0.86 IRAK4 (0.87) MAP3K7IRAK4IRAK1ALKMET
SCHEMBL14619760 0.85 IRAK4 (0.85) MAP3K7IRAK4IRAK1ALKMET
SCHEMBL13500601 0.85 IRAK4 (0.85) MAP3K7IRAK4IRAK1ALKMET
SCHEMBL29313986 0.85 IRAK4 (0.84) MAP3K7IRAK4IRAK1ALKMET

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-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO disclosed
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