SCHEMBL29936201

SCHEMBL29936201

Cc1csc2c(Cl)nc(C3CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.50
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL23519900 1.00 PDE10A (0.50) PDE10APDE4BPDE7ANR1I2CYP3A4
SCHEMBL29723147 0.85 PDE10A (0.47) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL17946992 0.76 PDE10A (0.38) PDE10A
SCHEMBL358761 0.75 PDPK1 (0.37) PDE4BPDE7A
SCHEMBL5579149 0.75 PDPK1 (0.37) PDE4BPDE7A
SCHEMBL29936166 0.70 ADORA2A (0.37) PDE4BPDE7A
SCHEMBL29936278 0.69 TKT (0.37) PDE10A
SCHEMBL23498442 0.69 SMN1; SMN2 (0.35)
SCHEMBL23519924 0.69 PDPK1 (0.46) PDE4BPDE7A
SCHEMBL275864 0.68 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073073-A1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-10-19 EP disclosed