SCHEMBL16581572

SCHEMBL16581572

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4Cl)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.65
▸ MAP3K20 Q9NYL2 1/20 0.65
▸ MAP3K7 O43318 1/20 0.65
▸ MAP4K2 Q12851 1/20 0.65
▸ ABL1 P00519 14/20 0.63
▸ SRC P12931 2/20 0.63
▸ BCR P11274 10/20 0.58
▸ NR2E1 Q9Y466 2/20 0.57
▸ EPHB2 P29323 1/20 0.57
▸ KIT P10721 2/20 0.56
▸ LDLR P01130 1/20 0.56
▸ PCSK9 Q8NBP7 1/20 0.56
▸ PDGFRB P09619 1/20 0.54
▸ DDR1 Q08345 1/20 0.54
▸ NTRK3 Q16288 1/20 0.54
▸ DDR2 Q16832 1/20 0.54

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
SCHEMBL16581574 1.00 MAPK14 (0.65) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581560 0.90 MAPK14 (0.76) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581559 0.90 MAPK14 (0.76) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581618 0.83 CSK (0.63) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581617 0.83 CSK (0.63) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL24071010 0.82 NR2E1 (0.71) MAP3K7MAP4K2ABL1SRCBCR
SCHEMBL30211941 0.82 NR2E1 (0.71) MAP3K7MAP4K2ABL1SRCBCR
SCHEMBL13659898 0.81 NR2E1 (0.77) MAP3K7MAP4K2ABL1SRCBCR
SCHEMBL17325096 0.81 ABL1 (0.62) MAPK14MAP3K20ABL1SRCBCR
SCHEMBL3424818 0.80 MAPK14 (0.62) MAPK14MAP3K20MAP3K7MAP4K2ABL1

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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