SCHEMBL3650240

SCHEMBL3650240

CCC(CN1CCC(C(=O)O)CC1)Oc1cccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.47
▸ BTK Q06187 3/20 0.47
▸ ROCK2 O75116 2/20 0.38
▸ GFRA3 O60609 2/20 0.37
▸ RET P07949 1/20 0.37
▸ GALR2 O43603 3/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ GALR1 P47211 2/20 0.36
▸ GFRA2 O00451 1/20 0.36
▸ GFRA1 P56159 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CCNE2 O96020 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
SCHEMBL3646162 0.86 EGFR (0.50) EGFRBTK
SCHEMBL3651441 0.84 EGFR (0.46) EGFRBTKGFRA3RETKMT2A
SCHEMBL3647130 0.83 EGFR (0.45) EGFRBTKGFRA3RETIDH2
SCHEMBL3646358 0.82 EGFR (0.43) EGFRBTKROCK2GFRA3RET
SCHEMBL3650367 0.81 EGFR (0.39) EGFRBTKGSK3B
SCHEMBL27807596 0.80 GRM5 (0.39) EGFRBTK
SCHEMBL3647478 0.80 EGFR (0.44) EGFRBTKROCK2GFRA3RET
SCHEMBL3650935 0.80 ACHE (0.40) EGFRBTK
SCHEMBL3650235 0.80 LTA4H (0.49) EGFRBTKKMT2A
SCHEMBL12442985 0.79 L3MBTL1 (0.42) 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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