SCHEMBL3631397

SCHEMBL3631397

Cc1c(C(C)(C)C)n[nH]c1NC(=O)Nc1ccc(Sc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
MDM2 Q00987 1/20 0.40
PTK2 Q05397 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
RAF1 P04049 1/20 0.38
AURKB Q96GD4 2/20 0.38
KDR P35968 1/20 0.37
FLT3 P36888 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL3630678 0.90 MAPK14 (0.52) MAPK14RAB9AKMT2AMEN1RAF1
SCHEMBL6049563 0.88 MAPK14 (0.44) MAPK14KMT2AMEN1RAF1KDR
SCHEMBL6049562 0.86 MAPK14 (0.56) MAPK14MDM2RAB9AKMT2AMEN1
SCHEMBL3623372 0.85 BRAF (0.47) MAPK14RAF1KDRFLT3
SCHEMBL1287890 0.84 CCNC (0.55) MAPK14RAB9AKMT2AMEN1RAF1
SCHEMBL3629146 0.84 RAF1 (0.56) MAPK14RAF1KDR
SCHEMBL6049646 0.81 NAMPT (0.46) MAPK14KMT2AMEN1KDRSMN1; SMN2
SCHEMBL7836573 0.79 MAPK14 (0.48) MAPK14PTK2KMT2ARAF1AURKB
SCHEMBL6050040 0.76 MAPK14 (0.52) MAPK14RAB9AKMT2AMEN1TAAR1
SCHEMBL668689 0.76 MAPK14 (0.62) MAPK14MDM2PTK2KMT2AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4403482-B2 2010-01-27 JP claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP claimed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed