SCHEMBL9468243

SCHEMBL9468243

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.41
MAPK9 P45984 14/20 0.41
PRKD3 O94806 4/20 0.38
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
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
SCHEMBL11454175 0.90 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL8891696 0.86 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL9468250 0.82 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL11326488 0.76 ALDH1A1 (0.37) MAPK8RPS27KDM4EALDH1A1HPGD
SCHEMBL11642103 0.74 MAPK8 (0.41) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL8891710 0.74 MAPK8 (0.40) MAPK8MAPK9PRKD3MAPK10RPS27
SCHEMBL11447309 0.72 MAPK8 (0.62) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL11454176 0.71 MAPK8 (0.45) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL11702984 0.69 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10MAP4K4
SCHEMBL8888556 0.67 MAPK8 (0.49) MAPK8MAPK9MAPK10KDM4EALDH1A1

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-5196521-A Colorfastness; red; polyesters CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed