SCHEMBL31479959

SCHEMBL31479959

COC(=O)c1cncc(-c2ccnnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.41
SCN2A Q99250 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.38
CHEK1 O14757 1/20 0.38
ABL1 P00519 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
STING1 Q86WV6 2/20 0.38
HPGDS O60760 1/20 0.37
CD38 P28907 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
SCHEMBL24994726 0.88 CYP46A1 (0.47) SCN10ASCN2AMRGPRX4CYP46A1CHEK1
SCHEMBL319424 0.81 ALDH1A1 (0.50) SCN10ASCN2ACHEK1ALDH1A1
SCHEMBL31480001 0.81 HCAR2 (0.44) SCN10ASCN2ACHEK1ALDH1A1STING1
SCHEMBL24994713 0.80 SCN10A (0.51) SCN10ASCN2ACYP46A1CHEK1
SCHEMBL24993569 0.80 SCN10A (0.48) SCN10ASCN2AMRGPRX4CHEK1
SCHEMBL24994724 0.79 NPC1 (0.54) SCN10ASCN2ACHEK1ALDH1A1
SCHEMBL17055816 0.79 CHEK1 (0.62) SCN10ASCN2ACHEK1ALDH1A1CYP11B1
SCHEMBL24994305 0.79 SCN10A (0.63) SCN10ASCN2AMRGPRX4CHEK1ALDH1A1
SCHEMBL31026540 0.78 SCN10A (0.43) SCN10ASCN2AMRGPRX4CHEK1MAPK1
SCHEMBL25650470 0.77 STING1 (0.55) CYP46A1MAPK1STING1

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-2025082460-A1 DIACYLGLYCEROL KINASE INHIBITOR COMPOUND AND USE THEREOF 上海先祥医药科技有限公司 2025-04-24 WO disclosed