SCHEMBL3715149

SCHEMBL3715149

NC(=O)c1cnc(Nc2cccc(NC(=O)[C@@H]3CCCO3)c2)nc1NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
STAT6 P42226 12/20 0.49
EGFR P00533 1/20 0.49
SYK P43405 2/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL912926 0.92 STAT6 (0.56) JAK3JAK2JAK1STAT6EGFR
SCHEMBL912925 0.92 STAT6 (0.56) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913718 0.92 STAT6 (0.56) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913204 0.86 STAT6 (0.61) JAK3JAK2JAK1STAT6
SCHEMBL913205 0.86 STAT6 (0.61) JAK3JAK2JAK1STAT6
SCHEMBL3722244 0.83 ULK1 (0.61) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913671 0.82 SYK (0.52) EGFRSYKNPC1POLBSMN1; SMN2
SCHEMBL913673 0.82 SYK (0.52) EGFRSYKNPC1POLBSMN1; SMN2
SCHEMBL913757 0.82 JAK3 (0.64) JAK3JAK2JAK1STAT6EGFR
SCHEMBL3715974 0.80 JAK3 (0.55) JAK3JAK2JAK1STAT6EGFR

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