SCHEMBL3630486

SCHEMBL3630486

CCC(C)CCc1cc(NC(=O)Nc2ccccc2Oc2ccncc2)on1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
KMT2A Q03164 4/20 0.44
RAF1 P04049 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PDGFRA P16234 1/20 0.37
KDR P35968 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
SCHEMBL3631478 0.77 MAPT (0.52) MAPK14KMT2ARAF1GAASMN1; SMN2
SCHEMBL937764 0.74 RAF1 (0.66) MAPK14RAF1SMN1; SMN2MAPTKDR
SCHEMBL20166866 0.72 CYP1A2 (0.51) MAPK14SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL3669020 0.72 CYP1A2 (0.51) MAPK14SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL11253369 0.69 CYP1A2 (0.44) MAPK14KMT2AGAASMN1; SMN2LMNA
SCHEMBL18666165 0.66 ADRA2C (0.78) KMT2AGAASMN1; SMN2L3MBTL1LMNA
SCHEMBL937763 0.64 RAF1 (0.70) MAPK14RAF1LMNAKDR
SCHEMBL6378842 0.64 KMT2A (0.53) MAPK14KMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL667449 0.63 RAF1 (0.80) MAPK14RAF1KDR
SCHEMBL938751 0.63 RAF1 (0.80) MAPK14RAF1KDR

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 5 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