SCHEMBL21096932

SCHEMBL21096932

Fc1cccc(SNc2ccc(F)c(C#Cc3cnc4[nH]nc(-c5ccncc5)c4c3)c2F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.47
▸ MAP3K20 Q9NYL2 11/20 0.43
▸ KIT P10721 1/20 0.42
▸ FRK P42685 1/20 0.42
▸ SIK1 P57059 1/20 0.42
▸ MAP2K5 Q13163 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ SRMS Q9H3Y6 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
SCHEMBL21047291 0.82 BRAF (0.68) BRAFMAP3K20KITFRKSIK1
SCHEMBL21096946 0.73 BRAF (0.45) BRAFMAP3K20KITFRKSIK1
SCHEMBL21046769 0.72 BRAF (0.77) BRAFMAP3K20
SCHEMBL21046814 0.71 BRAF (0.73) BRAFMAP3K20KITFRKSIK1
SCHEMBL21096463 0.70 BRAF (0.54) BRAFMAP3K20KITFRKSIK1
SCHEMBL28074823 0.68 MAP3K20 (0.60) BRAFMAP3K20KITFRKSIK1
SCHEMBL19872610 0.67 BRAF (0.50) BRAFMAP3K20
SCHEMBL21096217 0.67 BRAF (0.46) BRAFMAP3K20
SCHEMBL21096938 0.67 BRAF (0.66) BRAFMAP3K20
SCHEMBL21096468 0.66 BRAF (0.46) BRAFMAP3K20

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-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 — — EP disclosed
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