SCHEMBL3720754

SCHEMBL3720754

COCC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.59
JAK2 O60674 2/20 0.59
JAK1 P23458 2/20 0.59
STAT6 P42226 8/20 0.55
CCNT1 O60563 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
EGFR P00533 2/20 0.54
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
ITK Q08881 1/20 0.51
SYK P43405 1/20 0.50

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
SCHEMBL914764 0.92 STAT6 (0.60) JAK3JAK2JAK1STAT6CCNT1
SCHEMBL913757 0.88 JAK3 (0.64) JAK3JAK2JAK1STAT6EGFR
SCHEMBL3715522 0.88 JAK3 (0.55) JAK3JAK2JAK1STAT6MAPK8
SCHEMBL913774 0.85 JAK3 (0.59) JAK3JAK2JAK1STAT6CCNT1
SCHEMBL3712394 0.85 JAK3 (0.56) JAK3JAK2JAK1STAT6MAPK8
SCHEMBL914772 0.84 CCNT1 (0.67) JAK3JAK2JAK1STAT6CCNT1
SCHEMBL913938 0.84 JAK3 (0.59) JAK3JAK2JAK1STAT6CCNT1
SCHEMBL913785 0.84 JAK3 (0.62) JAK3JAK2JAK1STAT6CCNT1
SCHEMBL915052 0.84 CCNT1 (0.59) JAK3JAK2JAK1CCNT1CCNE1
SCHEMBL913378 0.84 CCNT1 (0.57) JAK3JAK2JAK1CCNT1CCNE1

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