SCHEMBL21372012

SCHEMBL21372012

Ic1cnc2nsnc2c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.43
PTPN11 Q06124 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
SCHEMBL2546878 0.74 DYRK1A (0.48) TDO2PTPN11
SCHEMBL18500595 0.65 PTPN11 (0.54) TDO2PTPN11
SCHEMBL17383748 0.65 IDO1 (0.36)
SCHEMBL3324842 0.65 PDGFRB (0.51) TDO2
SCHEMBL14828956 0.64
SCHEMBL5437662 0.64
SCHEMBL29895057 0.63 PTPN11 (0.44) TDO2PTPN11
SCHEMBL19001482 0.59 CYP1A2 (0.43)
SCHEMBL18848507 0.58 ESR2 (0.41)
SCHEMBL360056 0.57 KMT2A (0.33)

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-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
EP-3182973-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2019-09-18 EP disclosed