SCHEMBL16581560

SCHEMBL16581560

COc1c(C=Cc2cc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.76
▸ MAP3K20 Q9NYL2 3/20 0.76
▸ MAP3K7 O43318 2/20 0.65
▸ MAP4K2 Q12851 2/20 0.65
▸ ABL1 P00519 11/20 0.62
▸ SRC P12931 3/20 0.62
▸ CSK P41240 3/20 0.60
▸ NR2E1 Q9Y466 2/20 0.58
▸ EPHB2 P29323 2/20 0.58
▸ MAP4K4 O95819 1/20 0.58
▸ RAF1 P04049 1/20 0.58
▸ LYN P07948 1/20 0.58
▸ EPHA2 P29317 1/20 0.58
▸ ABL2 P42684 1/20 0.58
▸ EPHB4 P54760 1/20 0.58
▸ LDLR P01130 1/20 0.57
▸ KIT P10721 1/20 0.57
▸ PCSK9 Q8NBP7 1/20 0.57
▸ BCR P11274 7/20 0.57

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
SCHEMBL16581559 1.00 MAPK14 (0.76) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581574 0.90 MAPK14 (0.65) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581572 0.90 MAPK14 (0.65) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL17208618 0.81 MAPK14 (0.76) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL24071010 0.81 NR2E1 (0.71) MAP3K7MAP4K2ABL1SRCNR2E1
SCHEMBL30211941 0.81 NR2E1 (0.71) MAP3K7MAP4K2ABL1SRCNR2E1
SCHEMBL13659898 0.80 NR2E1 (0.77) MAP3K7MAP4K2ABL1SRCNR2E1
SCHEMBL12518522 0.79 MAP4K2 (1.00) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581650 0.79 CSK (0.60) MAPK14MAP3K20MAP3K7MAP4K2ABL1
SCHEMBL16581606 0.79 CSK (0.60) 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 1 patent. 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
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