SCHEMBL11100261

SCHEMBL11100261

CC(C)Nc1cc(-c2c[nH]cn2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
MAPK14 Q16539 15/20 0.44
MAPK10 P53779 1/20 0.44
PRKCH P24723 1/20 0.41
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL11100753 0.84 MAPK14 (0.40) PRKD1PRKD2MAPK14MAPK10PRKCH
SCHEMBL11102425 0.83 ROCK1 (0.44) PRKD1MAPK10
SCHEMBL25095006 0.80 MAPK10 (0.33) MAPK14MAPK10
SCHEMBL11097380 0.79 PRKD1 (0.47) PRKD1PRKD2MAPK14MAPK10PRKCH
SCHEMBL1502132 0.79 PRKD1 (0.44) PRKD1PRKD2MAPK14MAPK10HRH4
SCHEMBL11100755 0.78 MAPK14 (0.47) PRKD1PRKD2MAPK14HRH4
SCHEMBL11101103 0.78 MAPK14 (0.50) MAPK14
SCHEMBL11102704 0.77 HRH4 (0.41) PRKD1PRKD2MAPK14HRH4
SCHEMBL11101105 0.75 MAPK14 (0.50) MAPK14HRH4
SCHEMBL26550138 0.75 MAPK14 (0.52) PRKD1PRKD2MAPK14MAPK10PRKCH

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-0051371-B1 IMIDAZOLYLPYRIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1984-08-29 EP disclosed
EP-0051371-A2 Imidazolylpyridine therapeutic agents PFIZER INC. (US) 1982-05-12 EP disclosed
US-4302464-A ANTIULCER AGENTS, ANTI-H2-HISTAMINES PFIZER INC. (US) 1981-11-24 US disclosed