SCHEMBL3623372

SCHEMBL3623372

Cc1c(C(C)(C)C)n[nH]c1NC(=O)Nc1ccc(Sc2ccncc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.47
BLM P54132 4/20 0.43
KDR P35968 7/20 0.43
RAF1 P04049 2/20 0.43
MAPK14 Q16539 1/20 0.41
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
WRN Q14191 1/20 0.40
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL3631397 0.85 MAPK14 (0.53) KDRRAF1MAPK14FLT3
SCHEMBL6049563 0.82 MAPK14 (0.44) BRAFKDRRAF1MAPK14TRPV1
SCHEMBL667804 0.77 FLT3 (0.59) RAF1MAPK14FLT3
SCHEMBL668429 0.76 MAPK14 (0.73) RAF1MAPK14
SCHEMBL3630678 0.75 MAPK14 (0.52) BRAFKDRRAF1MAPK14
SCHEMBL6049562 0.75 MAPK14 (0.56) KDRRAF1MAPK14
SCHEMBL1287890 0.74 CCNC (0.55) RAF1MAPK14
SCHEMBL3629146 0.74 RAF1 (0.56) BRAFKDRRAF1MAPK14
SCHEMBL7814189 0.73 RAF1 (0.56) BRAFKDRRAF1MAPK14
SCHEMBL841658 0.69 PDE7A (0.59) BRAFKDRKITFLT3

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 8 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-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP 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-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed