SCHEMBL30943174

SCHEMBL30943174

O=C(O)c1ccc2nc(-c3ccccc3)nn2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.51
▸ NAMPT P43490 3/20 0.50
▸ AHR P35869 7/20 0.49
▸ DHODH Q02127 1/20 0.48
▸ EGFR P00533 1/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43

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
SCHEMBL30943164 0.84 ALDH1A1 (0.53) PDE10ANAMPTAHR
SCHEMBL16003818 0.79 PDE10A (0.51) PDE10AAHRDHODHEGFRPARP1
SCHEMBL26131533 0.78 AKR1B1 (0.41) AHR
SCHEMBL30943165 0.78 KMO (0.43) NAMPTAHR
SCHEMBL25183446 0.77 PIK3CD (0.41) —
SCHEMBL14811257 0.77 AHR (0.51) PDE10ANAMPTAHREGFRPARP1
SCHEMBL14811661 0.77 AHR (0.81) PDE10ANAMPTAHREGFRNR1H2
SCHEMBL20031271 0.77 KDM4E (0.40) AHR
SCHEMBL24320353 0.76 AHR (0.47) PDE10ANAMPTAHREGFR
SCHEMBL15170804 0.75 CYP11B2 (0.53) PDE10AAHRDHODHEGFRPARP1

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
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
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