SCHEMBL30873290

SCHEMBL30873290

COC(=O)c1cnc(Cl)nc1N[C@@H]1CCC[C@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.55
MAPK9 P45984 6/20 0.55
OPRK1 P41145 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
KMT2A Q03164 1/20 0.42
SYK P43405 2/20 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
SCHEMBL14657977 1.00 MAPK8 (0.55) MAPK8MAPK9OPRK1JAK1JAK3
SCHEMBL20354306 0.90 KMT2A (0.51) MAPK8MAPK9KMT2ASYK
SCHEMBL29501857 0.89 JAK1 (0.58) MAPK8MAPK9JAK1JAK3KMT2A
SCHEMBL23620439 0.89 JAK1 (0.58) MAPK8MAPK9JAK1JAK3KMT2A
SCHEMBL28533353 0.88 KMT2A (0.55) MAPK8MAPK9OPRK1KMT2ASYK
SCHEMBL28986155 0.87 MAPK8 (0.57) MAPK8MAPK9JAK1JAK3KMT2A
SCHEMBL16435468 0.85 MERTK (0.47) MAPK8MAPK9KMT2A
SCHEMBL17167992 0.85 MERTK (0.47) MAPK8MAPK9KMT2A
SCHEMBL26930786 0.85 MERTK (0.47) MAPK8MAPK9KMT2A
SCHEMBL24591416 0.82 MAPK8 (0.79) MAPK8MAPK9OPRK1SYK

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
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed