SCHEMBL11101103

SCHEMBL11101103

CCC(Nc1cc(-c2c[nH]cn2)ccn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
PRKCI P41743 2/20 0.44
KDM4E B2RXH2 2/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38

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
SCHEMBL11100305 0.84 MAPK14 (0.51) MAPK14PRKCIKDM4EASPHKDM8
SCHEMBL11100753 0.82 MAPK14 (0.40) MAPK14CRHR1FDPS
SCHEMBL11101105 0.79 MAPK14 (0.50) MAPK14
SCHEMBL11100261 0.78 PRKD1 (0.46) MAPK14
SCHEMBL1502132 0.75 PRKD1 (0.44) MAPK14
SCHEMBL11100755 0.74 MAPK14 (0.47) MAPK14
SCHEMBL11101994 0.74 MAPK10 (0.32)
SCHEMBL11101947 0.74 NOS2 (0.54) MAPK14CDC7CDK2EGFRCAMK2D
SCHEMBL11102425 0.73 ROCK1 (0.44) CDK2
SCHEMBL11102704 0.73 HRH4 (0.41) MAPK14CDC7CDK2

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