SCHEMBL15749568

SCHEMBL15749568

CC(C)n1cnc2cnc(Nc3ccnc(N4CC(F)C(F)C4)n3)cc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
CDK2 P24941 2/20 0.70
JAK2 O60674 1/20 0.51
KDR P35968 1/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL15748978 0.90 EGFR (0.70) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749077 0.90 EGFR (0.70) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749185 0.90 EGFR (0.70) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749014 0.88 EGFR (0.68) EGFRCDK2JAK2KDRAURKB
SCHEMBL17438391 0.88 EGFR (0.68) EGFRCDK2JAK2KDRAURKB
SCHEMBL17438392 0.88 EGFR (0.68) EGFRCDK2JAK2KDRAURKB
SCHEMBL15748906 0.88 EGFR (0.82) EGFRCDK2JAK2KDRAURKB
SCHEMBL17438431 0.87 EGFR (0.67) EGFRCDK2JAK2KDRAURKB
SCHEMBL15742126 0.87 EGFR (0.69) EGFRCDK2JAK2KDRAURKB
SCHEMBL15749107 0.87 EGFR (0.67) EGFRCDK2JAK2KDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US claimed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP claimed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 WO disclosed