SCHEMBL5217308

SCHEMBL5217308

Cc1nnc(-c2ccc(-c3cc(OC(=O)Nc4nccs4)ccc3C)c(C)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
MAP2K1 Q02750 3/20 0.48
LCK P06239 3/20 0.47
CSF1R P07333 2/20 0.44
KDR P35968 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL5124039 0.84 MAPK14 (0.63) MAPK14MAP2K1LCKCSF1RKDR
SCHEMBL5220199 0.78 MAPK14 (0.50) MAPK14MAP2K1NPC1RAB9AMAPK11
SCHEMBL5220245 0.77 MAPK14 (0.61) MAPK14MAP2K1LCKCSF1RKDR
SCHEMBL5114250 0.76 MAPK14 (0.64) MAPK14MAP2K1LCKNPC1RAB9A
SCHEMBL5123466 0.70 MAPK14 (0.72) MAPK14MAP2K1LCKCSF1RKDR
SCHEMBL5216405 0.69 MAPK14 (0.57) MAPK14MAP2K1MAPK11
SCHEMBL5117599 0.69 MAPK14 (0.64) MAPK14MAP2K1LCKCSF1RKDR
SCHEMBL5124579 0.69 MAPK14 (0.63) MAPK14MAP2K1LCKCSF1RKDR
SCHEMBL9898434 0.68 GCK (0.55)
SCHEMBL2724357 0.67 GCK (0.54)

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-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP claimed