SCHEMBL6049563

SCHEMBL6049563

Cc1c(C(C)(C)C)n[nH]c1NC(=O)Nc1cccc(Sc2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
RAF1 P04049 4/20 0.41
TRPV1 Q8NER1 4/20 0.40
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDR P35968 1/20 0.39
BRAF P15056 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3631397 0.88 MAPK14 (0.53) MAPK14KMT2ASMN1; SMN2PKMRAF1
SCHEMBL3623372 0.82 BRAF (0.47) MAPK14RAF1TRPV1KDRBRAF
SCHEMBL7814189 0.82 RAF1 (0.56) MAPK14KMT2ASMN1; SMN2PKMRAF1
SCHEMBL667125 0.79 MAPK14 (0.50) MAPK14KMT2ASMN1; SMN2PKMRAF1
SCHEMBL3630678 0.78 MAPK14 (0.52) MAPK14KMT2ASMN1; SMN2RAF1MEN1
SCHEMBL6049562 0.76 MAPK14 (0.56) MAPK14KMT2ASMN1; SMN2RAF1MEN1
SCHEMBL1287890 0.75 CCNC (0.55) MAPK14KMT2ASMN1; SMN2RAF1MEN1
SCHEMBL3629146 0.75 RAF1 (0.56) MAPK14RAF1KDRBRAF
SCHEMBL7836573 0.75 MAPK14 (0.48) MAPK14KMT2ASMN1; SMN2PKMRAF1
SCHEMBL668089 0.74 MEN1 (0.63) MAPK14KMT2ARAF1MEN1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1999032106-A1 INHIBITION OF RAF KINASE 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