SCHEMBL29590116

SCHEMBL29590116

O=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.49
▸ RAF1 P04049 6/20 0.46
▸ MAPK14 Q16539 2/20 0.45
▸ RET P07949 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ CCNC P24863 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ CSF1R P07333 1/20 0.40

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
SCHEMBL14783502 1.00 BRAF (0.49) BRAFRAF1MAPK14RETKDR
SCHEMBL14783494 0.93 BRAF (0.51) BRAFRAF1MAPK14RETKDR
SCHEMBL15688608 0.93 BRAF (0.51) BRAFRAF1MAPK14RETKDR
SCHEMBL29591393 0.93 BRAF (0.51) BRAFRAF1MAPK14RETKDR
SCHEMBL29590235 0.93 MAPT (0.44) BRAFRAF1KDRCCNCCDK8
SCHEMBL14783439 0.93 MAPT (0.44) BRAFRAF1KDRCCNCCDK8
SCHEMBL14783113 0.92 BRAF (0.45) BRAFRAF1PIK3CA
SCHEMBL29591210 0.92 BRAF (0.45) BRAFRAF1PIK3CA
SCHEMBL29590628 0.91 BRAF (0.49) BRAFRAF1MAPK14RETKDR
SCHEMBL14783473 0.91 BRAF (0.49) BRAFRAF1MAPK14RETKDR

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-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
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