SCHEMBL3647350

SCHEMBL3647350

CC(Cc1ccc(Nc2ncc(Br)cn2)cc1)N1CCC(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.46
▸ ACACB O00763 5/20 0.40
▸ SYK P43405 1/20 0.39
▸ TNK2 Q07912 1/20 0.38
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ PANK3 Q9H999 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36

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
SCHEMBL5049010 0.84 UBE2M (0.44) PTK2ACACBSYKUBE2MDCUN1D1
SCHEMBL3647638 0.81 PTK2 (0.53) PTK2SYKJAK2
SCHEMBL3646533 0.80 HTR2A (0.44) PTK2SYKTNK2
SCHEMBL3647440 0.78 PTK2 (0.42) PTK2SYKJAK2JAK1TYK2
SCHEMBL13472135 0.74 LTA4H (0.56) SYKJAK2JAK1TYK2FLT3
SCHEMBL30130179 0.73 RAB9A (0.49) ACACB
SCHEMBL3647478 0.71 EGFR (0.44) PTK2UBE2MDCUN1D1
SCHEMBL3642834 0.71 PTK2 (0.38) PTK2JAK2
SCHEMBL3647343 0.71 THRA (0.47) PTK2
SCHEMBL3647013 0.69 KMT2A (0.54) SYK

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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