SCHEMBL31119265

SCHEMBL31119265

CN(C)C(C)(C)CN1Cc2nc(NCc3cccnc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.40
▸ CYP3A4 P08684 8/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C19 P33261 6/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ CLK4 Q9HAZ1 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ APAF1 O14727 1/20 0.38

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
SCHEMBL31119263 1.00 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119313 0.84 CYP1A2 (0.41) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119258 0.84 VNN1 (0.40) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119271 0.83 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119249 0.80 POLB (0.45) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119305 0.78 SCD (0.45) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119296 0.78 DHPS (0.42) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31501293 0.77 CLK4 (0.41) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119280 0.77 ALDH1A1 (0.41) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119326 0.76 CYP11B2 (0.44) CYP1A2CYP3A4CYP2C19HSD17B10CLK4

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
EP-4683919-A1 VANIN-1 INHIBITORS Athos Therapeutics, Inc. (US) 2026-01-28 — — EP disclosed
WO-2024196841-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS, INC. (US) 2024-09-26 — — WO disclosed
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