SCHEMBL7318845

SCHEMBL7318845

Cc1nc(C=CC(=O)N(C)C)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
NR4A2 P43354 1/20 0.37
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
IP6K1 Q92551 1/20 0.31
IP6K2 Q9UHH9 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL10540316 1.00 MAP3K7 (0.39) MAP3K7TAB1NR4A2CCNCCDK8
SCHEMBL6181311 0.81 KDM4E (0.41) MAP3K7TAB1
SCHEMBL1902161 0.81 KDM4E (0.41) MAP3K7TAB1
SCHEMBL6718396 0.79 KDM4E (0.40) MAP3K7TAB1
SCHEMBL9032838 0.77 KMT2A (0.47) MAP3K7TAB1
SCHEMBL6181182 0.74 CA12 (0.46) CCNCCDK8
SCHEMBL6726458 0.74 CA12 (0.46) CCNCCDK8
SCHEMBL7322217 0.71 MAP3K7 (0.37) MAP3K7TAB1NR4A2CCNCCDK8
SCHEMBL3003194 0.71 MAP3K7 (0.37) MAP3K7TAB1NR4A2CCNCCDK8
SCHEMBL5345993 0.70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242973-B1 INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1991-07-17 EP disclosed
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
EP-0242973-A1 Indole derivatives, method for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-10-28 EP disclosed