SCHEMBL16581602

SCHEMBL16581602

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1/C=C/c1cnc2[nH]ccc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.49
▸ ABL1 P00519 4/20 0.47
▸ CSK P41240 3/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ MAP3K20 Q9NYL2 2/20 0.47
▸ RAF1 P04049 2/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ EPHA2 P29317 1/20 0.47
▸ EPHB2 P29323 1/20 0.47
▸ ABL2 P42684 1/20 0.47
▸ EPHB4 P54760 1/20 0.47
▸ MAP4K2 Q12851 1/20 0.47
▸ PIKFYVE Q9Y2I7 3/20 0.46
▸ KDR P35968 2/20 0.45
▸ BRAF P15056 4/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ ARAF P10398 1/20 0.41

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
SCHEMBL16581619 1.00 SRC (0.49) SRCABL1CSKMAPK14MAP3K20
SCHEMBL16581606 0.88 CSK (0.60) SRCABL1CSKMAPK14MAP3K20
SCHEMBL16581650 0.88 CSK (0.60) SRCABL1CSKMAPK14MAP3K20
SCHEMBL16581618 0.85 CSK (0.63) SRCABL1CSKMAPK14MAP3K20
SCHEMBL16581617 0.85 CSK (0.63) SRCABL1CSKMAPK14MAP3K20
SCHEMBL16581574 0.78 MAPK14 (0.65) SRCABL1MAPK14MAP3K20MAP3K7
SCHEMBL16581572 0.78 MAPK14 (0.65) SRCABL1MAPK14MAP3K20MAP3K7
SCHEMBL2284669 0.73 MAPK14 (0.83) SRCABL1CSKMAPK14MAP3K20
SCHEMBL29496497 0.73 MAPK14 (0.83) SRCABL1CSKMAPK14MAP3K20
SCHEMBL2284678 0.73 MAPK14 (0.83) SRCABL1CSKMAPK14MAP3K20

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-2519517-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2015-03-25 — — EP claimed
US-9180127-B2 Type II Raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-11-10 — — US disclosed
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