SCHEMBL3264121

SCHEMBL3264121

CN1CCN(C(=O)c2cccc(Nc3nccc(-c4c[nH]nc4-c4ccc(Cl)cc4)n3)c2)CC1.Cc1ccc(-c2n[nH]cc2-c2ccnc(Nc3cccc(OCC4CCN(C)CC4)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.49
AIMP2 Q13155 1/20 0.49
SCN9A Q15858 2/20 0.43
NTRK1 P04629 1/20 0.41
JAK2 O60674 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3247848 0.89 AIMP2 (0.58) SYKAIMP2SCN9AJAK2HDAC1
SCHEMBL3254348 0.88 AIMP2 (0.49) SYKAIMP2SCN9AJAK2HDAC1
SCHEMBL3247473 0.88 AIMP2 (0.51) SYKAIMP2NTRK1
SCHEMBL3254613 0.80 PIK3CA (0.47) SYKAIMP2
SCHEMBL3255252 0.80 CDK2 (0.53) SYKJAK2
SCHEMBL3250561 0.79 CDK2 (0.56) SYKJAK2
SCHEMBL3391948 0.78 AIMP2 (0.51) SYKAIMP2SCN9AJAK2HDAC1
SCHEMBL3256070 0.78 AIMP2 (0.59) SYKAIMP2SCN9AJAK2HDAC1
SCHEMBL3252685 0.74 FLT3 (0.62) SYKAIMP2JAK2
SCHEMBL3249693 0.74 JAK2 (0.59) SYKAIMP2JAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP claimed