SCHEMBL11642103

SCHEMBL11642103

CCC(Nc1nc(N)cc(N)c1C#N)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.41
MAPK9 P45984 14/20 0.41
PRKD3 O94806 4/20 0.36
MAPK10 P53779 3/20 0.35
MAP4K4 O95819 2/20 0.33
MAP4K2 Q12851 2/20 0.33
PKN2 Q16513 2/20 0.33
PRKD2 Q9BZL6 1/20 0.33
STK17A Q9UEE5 1/20 0.33
RPS27 P42677 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.32

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
SCHEMBL11454175 0.76 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL11447309 0.76 MAPK8 (0.62) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL11702984 0.76 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL11642106 0.76 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10
SCHEMBL9468243 0.74 MAPK8 (0.41) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL9468250 0.74 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL13514208 0.70 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL8888556 0.70 MAPK8 (0.49) MAPK8MAPK9MAPK10
Dimethylamine SCHEMBL9149936 0.70 MAPK1 (0.51) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL1145879 0.70 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066637-A BASIC DIAMINOPYRIDINE-(3)-AZO DYESTUFFS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed