SCHEMBL3977928

SCHEMBL3977928

CN(c1cc[c]c(NC2CCOCC2)c1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.30
PARP14 Q460N5 1/20 0.30

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
SCHEMBL591712 0.81 EHMT2 (0.35)
SCHEMBL591603 0.76 HTR1D (0.33) MAPK1
SCHEMBL591483 0.74 HTR1D (0.32) MAPK1
SCHEMBL592327 0.73 CNR2 (0.32)
SCHEMBL3975976 0.73 KDM4E (0.32)
SCHEMBL589220 0.72 RORC (0.31)
SCHEMBL3513187 0.72 CYP1A2 (0.44) SLC6A4CYP2D6
SCHEMBL591485 0.71 NTSR1 (0.39)
SCHEMBL591502 0.71 BRD4 (0.35) CYP2D6MAPK1
SCHEMBL589751 0.70 IRAK4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO disclosed