SCHEMBL31607754

SCHEMBL31607754

Cc1c(C(=O)O)cc2n1CCNC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RPS6KA3 P51812 6/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ GRK5 P34947 1/20 0.36

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
SCHEMBL27139461 0.81 MAPT (0.44) ALDH1A1GAARPS6KA3PARP1
SCHEMBL27149694 0.80 PLAT (0.39) ALDH1A1RPS6KA3MAPKAPK2RPS6KA2CYP2D6
SCHEMBL27143039 0.78 ALDH1A1 (0.42) ALDH1A1GAARPS6KA3PARP1CYP2D6
SCHEMBL27142570 0.76 ALDH1A1 (0.44) ALDH1A1GAARPS6KA3PARP1CYP2D6
SCHEMBL30241987 0.73 ALDH1A1 (0.38) ALDH1A1GAARPS6KA3CHEK1AURKA
SCHEMBL30241989 0.73 ALDH1A1 (0.38) ALDH1A1GAARPS6KA3CHEK1AURKA
SCHEMBL21798219 0.73 KDM4E (0.38) NOTUMALDH1A1GAARPS6KA3CHEK1
SCHEMBL19965866 0.69 HRH3 (0.35) ALDH1A1GAAPARP1RPS6KA2CYP2D6
SCHEMBL2898178 0.68 HSD17B10 (0.49) ALDH1A1GAARPS6KA3PARP1MAPKAPK2
SCHEMBL31607759 0.67 NOTUM (0.34) NOTUMALDH1A1CYP2D6HRH3

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
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
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