SCHEMBL1133713

SCHEMBL1133713

Cc1ccc2nnc(C(F)(F)c3cccc(-c4ncc(OCC5CCN(OC(=O)OC(C)(C)C)CC5)cn4)c3)n2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 2/20 0.35
▸ GUCY1A2 P33402 2/20 0.35
▸ GUCY1A1 Q02108 2/20 0.35
▸ GUCY1B1 Q02153 2/20 0.35
▸ GPR119 Q8TDV5 4/20 0.35
▸ PIM1 P11309 4/20 0.34
▸ MET P08581 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32

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
SCHEMBL1658272 0.90 GPR119 (0.45) GPR119PIM1PDE4DDPP4
SCHEMBL1658386 0.87 GUCY1B2 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PIM1
SCHEMBL1133778 0.86 MET (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PIM1
SCHEMBL1296781 0.76 GPR119 (0.41) GPR119METNQO2PDE4D
SCHEMBL1133917 0.74 MET (0.53) PIM1METNQO2
SCHEMBL1133888 0.73 CYP1A2 (0.43) PIM1METNQO2
SCHEMBL1133887 0.72 CYP1A2 (0.43) PIM1METNQO2
SCHEMBL1133840 0.72 PIM1 (0.43) PIM1METNQO2
SCHEMBL2489896 0.69 MET (0.61) METNQO2
SCHEMBL1296715 0.68 MET (0.76) METNQO2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285811-B1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2012-12-05 — — EP disclosed
EP-2285811-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-Ý1,2,4¨TRIAZOLOÝ4,3-B¨PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS Merck Patent GmbH (DE) 2011-02-23 — — EP disclosed
WO-2009152920-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-12-23 — — WO disclosed
Send feedback