SCHEMBL8524296

SCHEMBL8524296

CCC(SC)n1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1-c1ccncc1.CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.46
MAPK11 Q15759 8/20 0.46
MAPK13 O15264 7/20 0.46
MAPK12 P53778 7/20 0.46
GCGR P47871 2/20 0.46
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK1D P48730 2/20 0.38
EGFR P00533 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL8488803 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL8490495 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5082085 0.83 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12GCGR
Morpholine SCHEMBL7387653 0.80 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12GCGR
Morpholine SCHEMBL7990935 0.73 MAPK14 (0.37) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL7355719 0.69 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL4566366 0.68 ADORA2A (0.46) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL7232352 0.68 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5641898 0.68 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12
SCHEMBL8860326 0.66 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12CSNK1D

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-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed