SCHEMBL13627396

SCHEMBL13627396

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(O)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.68
KCNH2 Q12809 1/20 0.48
MALT1 Q9UDY8 1/20 0.48
PTGS2 P35354 3/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.46
BRD4 O60885 1/20 0.43
CCKAR P32238 1/20 0.43

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
SCHEMBL2917069 0.92 MGLL (0.57) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2911969 0.92 MGLL (0.57) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2920388 0.91 MALT1 (0.61) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL13637494 0.91 MGLL (0.56) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2911623 0.91 MGLL (0.56) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2917284 0.91 MGLL (0.63) MGLLKCNH2MALT1PTGS2CCKAR
SCHEMBL2914856 0.90 MGLL (0.54) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2910679 0.89 MGLL (0.53) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL5268680 0.89 MGLL (0.52) MGLLKCNH2MALT1PTGS2CFTR
SCHEMBL5265747 0.87 MGLL (0.51) MGLLKCNH2MALT1PTGS2MEN1

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
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed