SCHEMBL27807597

SCHEMBL27807597

CC(=O)OC1CCN(C=Cc2cccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.49
▸ BTK Q06187 8/20 0.49
▸ ROCK2 O75116 2/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ ITK Q08881 3/20 0.36
▸ GFRA3 O60609 1/20 0.36
▸ RET P07949 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ GALR2 O43603 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL27785768 0.88 EGFR (0.47) EGFRBTKROCK2IGF1RGFRA3
SCHEMBL27785694 0.77 EGFR (0.41) EGFRBTKIGF1RGALR2
SCHEMBL27785763 0.76 EGFR (0.41) EGFRBTKIGF1RITK
SCHEMBL27785807 0.74 EGFR (0.39) EGFRBTK
SCHEMBL27785754 0.72 EGFR (0.41) EGFRBTK
SCHEMBL27785729 0.71 SYK (0.53) EGFRGALR2
SCHEMBL3646162 0.70 EGFR (0.50) EGFRBTKITK
SCHEMBL3650240 0.70 EGFR (0.47) EGFRBTKROCK2GFRA3RET
SCHEMBL3651562 0.70 NLRP3 (0.49) EGFRBTK
SCHEMBL3651441 0.70 EGFR (0.46) EGFRBTKGFRA3RET

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
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN claimed
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN disclosed
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