SCHEMBL9038947

SCHEMBL9038947

Cc1sc2c(c1C)C(c1ccccc1)=NCc1nnc(C)n1-2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.50
GABRA1 P14867 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRB2 P47870 3/20 0.50
OPRK1 P41145 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
CNR1 P21554 1/20 0.50
GABRA3 P34903 1/20 0.50
PTAFR P25105 9/20 0.47
PDE4D Q08499 1/20 0.46

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
SCHEMBL12228131 0.90 MEN1 (0.47) BRD4OPRK1PTAFRPDE4D
SCHEMBL2539664 0.90 BRD4 (0.54) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2538078 0.88 BRD4 (0.44) BRD4PTAFR
SCHEMBL21320337 0.88 BRD4 (0.47) BRD4OPRK1PTAFRPDE4D
SCHEMBL2537139 0.88 BRD4 (0.56) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2538162 0.88 BRD4 (0.45) BRD4OPRK1PTAFRPDE4D
SCHEMBL2541879 0.87 BRD4 (0.42) BRD4OPRK1PTAFRPDE4D
SCHEMBL2542927 0.87 CYP11B2 (0.44) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL23745163 0.86 OPRK1 (0.45) BRD4OPRK1PTAFRPDE4D
SCHEMBL2541825 0.86 BRD4 (0.42) BRD4GABRA1GABRA5GABRA2GABRB2

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
WO-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 WO disclosed
EP-0692483-A1 CELL ADHESION INHIBITOR AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-01-17 EP disclosed