SCHEMBL3718752

SCHEMBL3718752

CC(=O)Nc1cc(Nc2ncc(C(N)=O)c(N(c3ccccc3)C3CC3)n2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.44
▸ ABL1 P00519 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ DDR2 Q16832 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ BMX P51813 3/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL3715143 0.88 MAP3K5 (0.51) SYKABL1SRCJAK3MAPK8
SCHEMBL3716850 0.79 CDK9 (0.49) SYKLCKJAK3MAPK8MAPK9
SCHEMBL736146 0.77 SYK (0.64) SYK
SCHEMBL914288 0.75 STAT6 (0.63) SYKJAK3STAT6
SCHEMBL913288 0.75 MAPK8 (0.48) SYKABL1SRCDDR1MAPK14
SCHEMBL3712339 0.75 MAPK9 (0.42) SYKJAK3MAPK8MAPK9STAT6
SCHEMBL913759 0.74 MAP3K5 (0.52) SYKABL1SRCLCKJAK3
SCHEMBL913568 0.74 MAP3K5 (0.49) SYKABL1SRCJAK3MAPK8
SCHEMBL3806715 0.72 MAP3K5 (0.47) SYKJAK3MAPK8MAPK9
SCHEMBL3806721 0.72 MAP3K5 (0.47) SYKJAK3MAPK8MAPK9

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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