SCHEMBL1518802

SCHEMBL1518802

O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCCNC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 13/20 0.69
▸ MAPK14 Q16539 11/20 0.69
▸ MAPK8 P45983 11/20 0.69
▸ CDK9 P50750 3/20 0.59
▸ BUB1 O43683 1/20 0.54
▸ GSK3B P49841 2/20 0.53
▸ PIP5K1C O60331 2/20 0.52
▸ PIK3CA P42336 2/20 0.52
▸ PIP5K1B O14986 1/20 0.51
▸ PIP5K1A Q99755 1/20 0.51

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
SCHEMBL1518733 0.95 MAPK10 (0.72) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL5814782 0.82 MAPK10 (0.52) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL1518865 0.81 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL2449552 0.79 ULK1 (0.56) CDK9
SCHEMBL1518782 0.79 MAPK10 (1.00) MAPK10MAPK14MAPK8BUB1GSK3B
SCHEMBL6826851 0.79 MAPK10 (1.00) MAPK10MAPK14MAPK8BUB1GSK3B
SCHEMBL21068073 0.79 MAPK10 (1.00) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL1518805 0.79 MAPK10 (1.00) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL17223597 0.79 MAPK10 (1.00) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL1518834 0.79 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA

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
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 — — US disclosed
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