SCHEMBL15637442

SCHEMBL15637442

C=CC(=O)Nc1cccc(-c2nc(Nc3c[c]c(N4CCOCC4)cc3)ncc2Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.79
JAK3 P52333 6/20 0.58
JAK2 O60674 3/20 0.58
JAK1 P23458 3/20 0.58
TTK P33981 2/20 0.58
TYK2 P29597 1/20 0.57
EGFR P00533 3/20 0.56
CDK7 P50613 1/20 0.53
CCNH P51946 1/20 0.53

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
SCHEMBL12813134 0.89 BTK (1.00) BTKJAK3JAK2JAK1TTK
SCHEMBL17071433 0.86 BTK (0.85) BTKJAK3JAK2JAK1TTK
SCHEMBL15640174 0.86 BTK (0.89) BTKJAK3JAK2JAK1TTK
SCHEMBL17071407 0.85 BTK (0.88) BTKJAK3JAK2JAK1TTK
SCHEMBL15638700 0.85 BTK (1.00) BTKJAK3JAK2JAK1TTK
SCHEMBL17071396 0.84 BTK (0.88) BTKJAK3JAK2JAK1TTK
SCHEMBL12813112 0.84 BTK (1.00) BTKJAK3JAK2JAK1TTK
SCHEMBL16144739 0.83 BTK (0.80) BTKJAK3JAK2JAK1TTK
SCHEMBL17071435 0.82 BTK (0.78) BTKJAK3JAK2JAK1TTK
SCHEMBL17359395 0.81 BTK (0.78) BTKJAK3JAK2JAK1TTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903971-B1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2019-06-12 EP disclosed
EP-2903971-A2 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University Of Utah Research Foundation (US) 2015-08-12 EP disclosed
WO-2014055934-A2 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-04-10 WO disclosed