SCHEMBL23929314

SCHEMBL23929314

Nc1nc2cnc(Cl)nc2n1C1CCSCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 16/20 0.33
▸ HSD17B10 Q99714 14/20 0.33
▸ ALDH1A1 P00352 14/20 0.33
▸ CASP1 P29466 10/20 0.33
▸ USP2 O75604 10/20 0.33
▸ CASP7 P55210 9/20 0.33
▸ MAPK1 P28482 7/20 0.33
▸ HPGD P15428 5/20 0.33
▸ GLA P06280 4/20 0.33
▸ HIF1A Q16665 4/20 0.33
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ CYP2C9 P11712 5/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.32
▸ CYP2C19 P33261 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL29987360 1.00 CYP1A2 (0.33) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL29986748 0.87 CYP1A2 (0.35) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL23929340 0.83 CYP1A2 (0.39) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL29987032 0.83 CYP1A2 (0.39) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL23963529 0.83 CYP1A2 (0.38) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL23929301 0.81 CYP1A2 (0.34) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL29986491 0.81 CYP1A2 (0.34) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL7222692 0.75 HCAR1 (0.43) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL23929329 0.71 CYP1A2 (0.41) CYP1A2HSD17B10ALDH1A1CASP1USP2
SCHEMBL29987849 0.71 CYP1A2 (0.41) CYP1A2HSD17B10ALDH1A1CASP1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549092-B Tricyclic kinase inhibitors 山东轩竹医药科技有限公司 2022-10-18 — — CN disclosed
WO-2021213460-A1 TRICYCLIC KINASE INHIBITOR 山东轩竹医药科技有限公司 (CN) 2021-10-28 — — WO disclosed
CN-113549092-A Tricyclic kinase inhibitors 山东轩竹医药科技有限公司 2021-10-26 — — CN disclosed
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