SCHEMBL4713627

SCHEMBL4713627

Cc1ccc(C(=O)Nc2cc(-c3ncc[nH]3)cc(C(F)(F)F)c2)cc1NC(=O)N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.48
▸ BRAF P15056 10/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ ARAF P10398 1/20 0.46
▸ MAP3K7 O43318 2/20 0.46
▸ MAP4K2 Q12851 2/20 0.46
▸ PIKFYVE Q9Y2I7 2/20 0.43
▸ LCK P06239 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL4716357 0.90 ABL1 (0.51) ABL1BRAFRAF1ARAFMAP3K7
SCHEMBL14572597 0.86 BRAF (0.55) BRAFRAF1ARAFMAP3K7MAP4K2
SCHEMBL14572600 0.86 BRAF (0.49) ABL1BRAFRAF1ARAFMAP3K7
SCHEMBL14572598 0.85 LCK (0.57) BRAFRAF1ARAFLCKKDM4E
SCHEMBL3388912 0.83 MAP3K7 (0.52) ABL1BRAFRAF1ARAFMAP3K7
SCHEMBL3386095 0.83 MAP4K2 (0.63) ABL1RAF1MAP3K7MAP4K2LCK
SCHEMBL4718589 0.82 BRAF (0.47) ABL1BRAFRAF1ARAFPIKFYVE
SCHEMBL3386984 0.81 CSF1R (0.58) BRAFRAF1ARAFPIKFYVELCK
SCHEMBL14572593 0.80 BRAF (0.54) BRAFRAF1ARAF
SCHEMBL14572590 0.80 BRAF (0.66) BRAFRAF1ARAFLCK

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-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 — — EP claimed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 — — WO claimed
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