SCHEMBL21391987

SCHEMBL21391987

COc1ccc(CN(SC2CC2)c2ccnc(Cl)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL21392168 0.79 APLNR (0.33) CLK4LMNAMAPTALDH1A1MEN1
SCHEMBL21385329 0.75 APLNR (0.39) LMNAMAPTALDH1A1MEN1CYP1A2
SCHEMBL21392051 0.73 CACNA1B (0.36) LMNAALDH1A1TSHRKCNH2SMN1; SMN2
SCHEMBL21392159 0.73 SLC2A1 (0.32) LMNAALDH1A1TSHRKCNH2SMN1; SMN2
SCHEMBL25249374 0.71 IGF1R (0.42) LMNAMAPTMEN1CYP1A2CYP3A4
SCHEMBL29593822 0.71 IGF1R (0.42) LMNAMAPTMEN1CYP1A2CYP3A4
SCHEMBL29593834 0.70 PDE2A (0.38) LMNAMAPTALDH1A1MEN1CYP1A2
SCHEMBL25244541 0.70 PDE2A (0.38) LMNAMAPTALDH1A1MEN1CYP1A2
SCHEMBL21392148 0.70 LMNA (0.33) LMNAMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL25282330 0.70 KMT2A (0.34) CLK4MEN1KMT2AKCNH2CLK1

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-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed