SCHEMBL11099101

SCHEMBL11099101

c1ccc(CCNc2cc(-c3c[nH]cn3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HTR7 P34969 4/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
ACHE P22303 5/20 0.46
BUB1 O43683 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 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
SCHEMBL11101947 0.87 NOS2 (0.54) MAPK14MKNK2MAPK13MAPK12MAPK11
SCHEMBL11100061 0.82 MAPK14 (0.48) MAPK14MKNK1MKNK2HTR7MAPK13
SCHEMBL11102704 0.81 HRH4 (0.41) MAPK14MKNK1MKNK2CDK2HRH4
SCHEMBL1502132 0.78 PRKD1 (0.44) MAPK14MAPK13MAPK12MAPK11HRH4
SCHEMBL11101105 0.77 MAPK14 (0.50) MAPK14HTR7TAAR1HRH4
SCHEMBL25095006 0.73 MAPK10 (0.33) MAPK14
SCHEMBL11102425 0.73 ROCK1 (0.44) BUB1CCNA2CDK2
SCHEMBL31240809 0.72 CCNC (0.58) MKNK1MKNK2HTR7ACHEMEN1
SCHEMBL28043558 0.72 CCNC (0.58) MAPK14MKNK1MKNK2HTR7ACHE
SCHEMBL11100755 0.72 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11HRH4

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