SCHEMBL3650367

SCHEMBL3650367

CC(CN1CCC(C(=O)O)CC1)Oc1cc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.39
▸ BTK Q06187 3/20 0.39
▸ GSK3B P49841 5/20 0.36
▸ DYRK1A Q13627 5/20 0.36
▸ WNT1 P04628 4/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ ABL1 P00519 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
SCHEMBL3652871 0.88 LTA4H (0.40) EGFRBTKDYRK1AAXLCNR2
SCHEMBL3642834 0.86 PTK2 (0.38) EGFRGSK3BDYRK1AWNT1PTK2
SCHEMBL3650207 0.84 GPR6 (0.41) EGFRBTKPTK2
SCHEMBL3652561 0.82 EGFR (0.40) EGFRBTKGSK3BPTK2CNR2
SCHEMBL3650361 0.82 CSF1R (0.41) EGFRBTKGSK3BDYRK1AWNT1
SCHEMBL3650935 0.81 ACHE (0.40) EGFRBTKPTK2ABL1
SCHEMBL3650240 0.81 EGFR (0.47) EGFRBTKGSK3B
SCHEMBL3651887 0.81 PTK2 (0.47) PTK2
SCHEMBL27807596 0.80 GRM5 (0.39) EGFRBTKPTK2MELKCNR2
SCHEMBL3654033 0.80 EGFR (0.39) EGFRBTKDYRK1AMELKCNR2

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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