SCHEMBL3644487

SCHEMBL3644487

CCC(C)(Cc1cccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)c1)N1CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.43
▸ BTK Q06187 2/20 0.43
▸ GFRA3 O60609 3/20 0.37
▸ RET P07949 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ GFRA2 O00451 2/20 0.36
▸ GFRA1 P56159 2/20 0.36
▸ ACKR3 P25106 8/20 0.36
▸ MET P08581 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ACSS2 Q9NR19 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ SYK P43405 1/20 0.34

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
SCHEMBL3651441 0.84 EGFR (0.46) EGFRBTKGFRA3RETACKR3
SCHEMBL3646358 0.83 EGFR (0.43) EGFRBTKGFRA3RETIDH2
SCHEMBL3647478 0.83 EGFR (0.44) EGFRBTKGFRA3RETIDH2
SCHEMBL3647130 0.83 EGFR (0.45) EGFRBTKGFRA3RETIDH2
SCHEMBL3652226 0.82 EGFR (0.46) EGFRBTKGFRA3RETIDH2
SCHEMBL3646162 0.80 EGFR (0.50) EGFRBTKSYK
SCHEMBL3650240 0.79 EGFR (0.47) EGFRBTKGFRA3RETIDH2
SCHEMBL27785768 0.77 EGFR (0.47) EGFRBTKGFRA3RETIDH2
SCHEMBL3647473 0.77 EGFR (0.44) EGFRBTK
SCHEMBL3646352 0.76 LTA4H (0.45) EGFRBTK

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-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO disclosed
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