SCHEMBL3631478

SCHEMBL3631478

CCC(C)CCc1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
RAF1 P04049 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.44
ERBB2 P04626 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.42
CYP17A1 P05093 1/20 0.41

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
SCHEMBL3630486 0.77 MAPK14 (0.47) MAPTRAF1MEN1KMT2APOLB
SCHEMBL937764 0.77 RAF1 (0.66) MAPTRAF1RAB9ASMN1; SMN2NAMPT
SCHEMBL667885 0.76 RAF1 (0.72) MAPTRAF1MEN1KMT2ARAB9A
SCHEMBL668557 0.76 RAF1 (0.60) MAPTRAF1MEN1KMT2ARAB9A
SCHEMBL669081 0.76 RAF1 (0.60) MAPTRAF1MEN1KMT2ARAB9A
SCHEMBL3166920 0.72 MAPT (0.68) MAPTRAF1MEN1KMT2ARAB9A
SCHEMBL3187436 0.72 RAB9A (0.84) MAPTRAF1MEN1KMT2ARAB9A
SCHEMBL3181820 0.69 CCNC (0.74) MAPTRAF1MEN1KMT2ARAB9A
SCHEMBL667635 0.68 RAF1 (1.00) RAF1MEN1KMT2ARAB9AMAPK11
SCHEMBL20166866 0.68 CYP1A2 (0.51) MAPTRAB9ASMN1; SMN2LMNATSHR

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