SCHEMBL30801501

SCHEMBL30801501

CC(C)Nc1nc([S+](C)[O-])ncc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ SYK P43405 15/20 0.43
▸ JAK2 O60674 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL13734126 1.00 MAPK8 (0.50) MAPK8MAPK9SYKJAK2LRRK2
SCHEMBL14861944 0.89 MAPK8 (0.40) MAPK8MAPK9SYK
SCHEMBL14861941 0.89 MAPK8 (0.40) MAPK8MAPK9SYK
SCHEMBL25634102 0.78 SYK (0.53) MAPK8MAPK9SYK
SCHEMBL17083657 0.78 SYK (0.53) MAPK8MAPK9SYK
SCHEMBL15354453 0.78 MAPK8 (0.55) MAPK8MAPK9SYKJAK2MAPK1
SCHEMBL17485379 0.77 MAPK8 (0.54) MAPK8MAPK9SYKJAK2MAPK1
SCHEMBL13735693 0.76 JAK3 (0.53) SYKJAK2
SCHEMBL13735202 0.76 MAPK8 (0.55) MAPK8MAPK9SYKJAK2
SCHEMBL15354455 0.75 MAPK8 (0.63) MAPK8MAPK9SYK

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
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
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 — — EP disclosed
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