SCHEMBL11642106

SCHEMBL11642106

CC(CNc1nc(N)cc(N)c1C#N)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.43
MAPK9 P45984 11/20 0.39
PRKD3 O94806 2/20 0.36
CTSK P43235 1/20 0.34
MAPK10 P53779 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KAT2B Q92831 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL11454176 0.80 MAPK8 (0.45) MAPK8MAPK9PRKD3CTSKMAPK10
SCHEMBL11447309 0.79 MAPK8 (0.62) MAPK8MAPK9PRKD3MAPK10KDM4E
SCHEMBL11642103 0.76 MAPK8 (0.41) MAPK8MAPK9PRKD3MAPK10
SCHEMBL8888556 0.73 MAPK8 (0.49) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL11702984 0.73 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10KDM4E
SCHEMBL11701910 0.73 ADORA1 (0.52) MAPK8MAPK9MAPK10LMNAHTT
SCHEMBL8889038 0.72 MAPK8 (0.48) MAPK8MAPK9MAPK10LMNAKDM4E
SCHEMBL8963971 0.71 MAPK8 (0.44) MAPK8MAPK9PRKD3LMNAMAPT
SCHEMBL8889019 0.71 MAPK8 (0.47) MAPK8MAPK9MAPK10LMNAKDM4E
SCHEMBL11704744 0.69 MAPK8 (0.54) MAPK8MAPK9MAPK10LMNAMAPT

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