SCHEMBL22561964

SCHEMBL22561964

CCC(/C(C#N)=C\C(=C/N)c1cc(NC(=O)c2ccnc(C3(C#N)CC3)c2)ccc1C)N1CC(C)(O)C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 20/20 0.50
BRAF P15056 20/20 0.50

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
SCHEMBL22562048 0.73 BRAF (0.42) RAF1BRAF
SCHEMBL29878210 0.72 RAF1 (0.58) RAF1BRAF
SCHEMBL19327940 0.69 RAF1 (0.68) RAF1BRAF
SCHEMBL29877986 0.68 RAF1 (0.54) RAF1BRAF
SCHEMBL26003063 0.68 BRAF (0.48) RAF1BRAF
SCHEMBL25701473 0.67 RAF1 (0.56) RAF1BRAF
SCHEMBL16102905 0.67 RAF1 (1.00) RAF1BRAF
SCHEMBL22562118 0.65 BRAF (0.34) RAF1BRAF
SCHEMBL22561940 0.65 RAF1 (0.63) RAF1BRAF
SCHEMBL19328022 0.64 RAF1 (0.68) RAF1BRAF

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
EP-3191467-B1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2020-10-21 EP disclosed