SCHEMBL7126529

SCHEMBL7126529

CSc1ncc(C(N)=O)c(NCc2ccncc2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.58
JAK2 O60674 3/20 0.58
JAK1 P23458 2/20 0.58
PPARG P37231 1/20 0.49
STAT6 P42226 6/20 0.47
THRB P10828 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12904539 0.89 STAT6 (0.58) JAK3JAK2JAK1PPARGSTAT6
SCHEMBL211691 0.86 STAT6 (0.50) JAK3JAK2JAK1PPARGSTAT6
SCHEMBL22261196 0.81 JAK3 (0.55) JAK3JAK2JAK1STAT6CCNA2
SCHEMBL14875573 0.80 PPARG (0.45) JAK3JAK2JAK1PPARGTHRB
SCHEMBL447094 0.79 KDR (0.59)
SCHEMBL1522370 0.79 PPARG (0.62) PPARGSTAT6THRB
SCHEMBL211407 0.78 STAT6 (0.48) JAK3JAK2JAK1STAT6THRB
SCHEMBL211406 0.77 HDAC1 (0.63)
SCHEMBL2627145 0.77 SYK (0.56)
SCHEMBL7119744 0.77 KDR (0.62) JAK3JAK2JAK1

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-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed