SCHEMBL26688648

SCHEMBL26688648

CC1CN=C2N(Cc3cnn(C)c3)C(=O)c3ccccc3N21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ PARG Q86W56 1/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL26688636 1.00 CHRM1 (0.45) CHRM1CHRM3PARGCHRM5CACNA1G
SCHEMBL31605951 0.85 ACHE (0.37) CHRM1CHRM3PARGCHRM5GABRA1
SCHEMBL31605812 0.83 MAOA (0.35) CHRM1CHRM3PARGGABRA1GABRA5
SCHEMBL26688697 0.82 PARG (0.40) CHRM1CHRM3PARGCHRM5KCNH2
SCHEMBL26688660 0.82 PARG (0.40) CHRM1CHRM3PARGCHRM5KCNH2
SCHEMBL26858136 0.79 CCNC (0.42) PARGMEN1KMT2AALDH1A1
SCHEMBL26688633 0.77 PARG (0.57) PARG
SCHEMBL11877884 0.77 ALDH1A1 (0.49) CHRM1CACNA1GCACNA1HCACNA1ITSHR
SCHEMBL26858139 0.76 PARG (0.46) PARG
SCHEMBL31605742 0.76 PARG (0.49) PARG

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
WO-2023224998-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. (US) 2023-11-23 — — WO disclosed
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