SCHEMBL5773217

SCHEMBL5773217

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3[C@H]3CC[C@H](O)CC3)cc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.83
CYP3A4 P08684 9/20 0.59
EGFR P00533 2/20 0.57
MAPK9 P45984 2/20 0.57
CSNK1D P48730 2/20 0.57
PRKD2 Q9BZL6 2/20 0.57
ABL1 P00519 1/20 0.57
ERBB2 P04626 1/20 0.57
FYN P06241 1/20 0.57
PIM1 P11309 1/20 0.57
FGFR1 P11362 1/20 0.57
MAPK1 P28482 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
MAPK8 P45983 1/20 0.57
LIMK1 P53667 1/20 0.57
DYRK1A Q13627 1/20 0.57
CDC42BPA Q5VT25 1/20 0.57
AURKB Q96GD4 1/20 0.57
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5773221 1.00 MAPK14 (0.83) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5772546 0.96 MAPK14 (0.90) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5771972 0.93 MAPK14 (0.85) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5768867 0.92 MAPK14 (0.71) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5771351 0.92 MAPK14 (0.71) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5772472 0.92 MAPK14 (0.84) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5771288 0.91 MAPK14 (0.69) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5771291 0.91 MAPK14 (0.69) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL4833479 0.91 MAPK14 (1.00) MAPK14CYP3A4EGFRMAPK9CSNK1D
SCHEMBL5774303 0.91 MAPK14 (0.81) MAPK14CYP3A4EGFRMAPK9CSNK1D

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
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed