SCHEMBL5080178

SCHEMBL5080178

NC(=O)c1ccc(CC2CC2)c(Nc2ccc3c(c2)CN(C2CCCC2)C3=O)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
PLK1 P53350 1/20 0.40
JAK2 O60674 9/20 0.38
JAK1 P23458 9/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
HTT P42858 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPK14 Q16539 3/20 0.38
NAMPT P43490 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
SCHEMBL3054080 0.73 MAPK14 (0.58) MAPK14
SCHEMBL7233424 0.69 KDM4E (0.64) POLB
SCHEMBL19674424 0.66 MAOA (0.46) JAK2JAK1
SCHEMBL787539 0.65 CRBN (0.58) POLBPARP1HTTESR2
SCHEMBL31409597 0.65 CRBN (0.58) JAK2JAK1POLBPARP1HTT
SCHEMBL5946827 0.64 CRBN (0.56) JAK2JAK1POLBPARP1HTT
SCHEMBL12874117 0.64 CRBN (0.52) BRD4PLK1JAK2JAK1
SCHEMBL27624826 0.63 MAPT (0.58) POLB
SCHEMBL787143 0.62 MAOA (0.42) POLBPARP1HTTESR2
SCHEMBL19903421 0.62 JAK2 (0.67) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907358-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-04-09 EP claimed
WO-2007000340-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed