SCHEMBL31591949

SCHEMBL31591949

Cc1ccc(C(C)n2cnc3ccc(C(N)=O)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
CHEK2 O96017 4/20 0.43
HCAR3 P49019 1/20 0.41
NAMPT P43490 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
FGFR1 P11362 1/20 0.40
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.38
CLK1 P49759 1/20 0.37
TNIK Q9UKE5 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 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
SCHEMBL31591951 0.90 HCAR3 (0.53) KMT2AHPGDHSD17B10MEN1CHEK2
SCHEMBL31591948 0.84 RORC (0.45) KMT2AHPGDHSD17B10MEN1HCAR3
SCHEMBL20454191 0.76 HCAR3 (0.49) KMT2AHPGDHSD17B10MEN1CHEK2
SCHEMBL31591981 0.75 HCAR3 (0.50) KMT2AHPGDHSD17B10MEN1HCAR3
SCHEMBL31591941 0.75 HCAR3 (0.50) KMT2AHPGDHSD17B10MEN1HCAR3
SCHEMBL31592014 0.75 HCAR3 (0.50) KMT2AHPGDHSD17B10MEN1HCAR3
SCHEMBL1608560 0.74 MEN1 (0.57) KMT2AHPGDHSD17B10MEN1HCAR3
SCHEMBL11171 0.72 SMN1; SMN2 (0.50) KMT2AHPGDHSD17B10CHEK2FGFR1
SCHEMBL6441326 0.72 HCAR3 (0.76) KMT2AHPGDHSD17B10HCAR3NAMPT
SCHEMBL18229473 0.70 FGFR1 (0.50) KMT2AHSD17B10MEN1CHEK2FGFR1

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
CN-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN claimed
CN-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN disclosed