SCHEMBL5813438

SCHEMBL5813438

CC(=O)N(C(=O)[C@H]1CCCNC1)c1cc(-c2ccnc(Nc3ccccc3)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 11/20 0.51
▸ MAPK8 P45983 10/20 0.51
▸ MAPK14 Q16539 6/20 0.51
▸ PIP5K1C O60331 5/20 0.46
▸ PIK3CA P42336 4/20 0.46
▸ PIP5K1B O14986 2/20 0.46
▸ PIP5K1A Q99755 2/20 0.46
▸ BUB1 O43683 3/20 0.46
▸ CDK9 P50750 1/20 0.45
▸ PIK3CD O00329 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ ACVRL1 P37023 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
SCHEMBL5813702 1.00 MAPK10 (0.51) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL5814782 0.91 MAPK10 (0.52) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6830052 0.90 MAPK10 (0.54) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6830651 0.86 MAPK10 (0.52) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL5814740 0.83 MAPK10 (0.49) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6505288 0.80 BUB1 (0.49) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1519020 0.72 MAPK10 (0.76) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518802 0.72 MAPK10 (0.69) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518956 0.71 MAPK10 (0.78) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6037695 0.69 MAPK10 (0.62) MAPK10MAPK8MAPK14PIP5K1CPIK3CA

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
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 — — WO disclosed
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