SCHEMBL363615

SCHEMBL363615

Cc1nn2c(SCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc3ccccc3c2c1C#N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.48
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACP1 P24666 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL363780 0.84 PDE10A (0.64) PDE10A
SCHEMBL362066 0.83 MAPT (0.48) PDE10AMEN1KMT2AALDH1A1TSHR
SCHEMBL361704 0.81 PDE10A (0.60) PDE10A
SCHEMBL362739 0.76 PDE10A (0.56) PDE10A
SCHEMBL363611 0.74 PDE10A (0.62) PDE10AALDH1A1TSHRSMN1; SMN2
SCHEMBL363347 0.70 PDE10A (0.61) PDE10AALDH1A1TSHR
SCHEMBL369870 0.69 PDE10A (0.64) PDE10AMEN1KMT2AALDH1A1TSHR
SCHEMBL10099707 0.67 PDE10A (0.58) PDE10AACP1
SCHEMBL10099700 0.67 PDE10A (0.58) PDE10AACP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL258853 0.66 PDE10A (0.82) PDE10A

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-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO claimed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed