SCHEMBL31119332

SCHEMBL31119332

CC(=O)NCCCN1Cc2nc(NCc3cccnc3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ FES P07332 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL31119328 1.00 SCD (0.42) SCDKMT2AFESRETMARK3
SCHEMBL31119305 0.94 SCD (0.45) SCDKMT2ACLK4VNN1ALDH1A1
SCHEMBL31501293 0.86 CLK4 (0.41) KMT2AFESRETMARK3TYK2
SCHEMBL31119280 0.85 ALDH1A1 (0.41) KMT2ACLK4VNN1ALDH1A1KDM4E
SCHEMBL31119271 0.84 CYP1A2 (0.40) KMT2ACLK4ALDH1A1KDM4ETP53
SCHEMBL31119298 0.84 KDM4E (0.44) KMT2AVNN1ALDH1A1KDM4ETP53
SCHEMBL31119325 0.83 SCD (0.40) SCDKMT2ARETCLK4VNN1
SCHEMBL31119276 0.83 JAK1 (0.44) KMT2AALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL31119321 0.83 RET (0.39) SCDRETALDH1A1TSHR
SCHEMBL31119313 0.82 CYP1A2 (0.41) KMT2ACLK4VNN1ALDH1A1KDM4E

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
Send feedback