SCHEMBL31030883

SCHEMBL31030883

CNC(=O)C1CC(n2cnc3ccc(C(N)=O)cc32)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.45
KCNH2 Q12809 13/20 0.45
CYP2C9 P11712 5/20 0.41
FGFR1 P11362 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BMPR2 Q13873 1/20 0.39

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
SCHEMBL4293328 0.77 FLT3 (0.48) FGFR1HSD17B10GAANPC1ALDH1A1
SCHEMBL4282464 0.76 CHEK2 (0.44) FGFR1HSD17B10GAANPC1ALDH1A1
SCHEMBL30358449 0.74 CYP2C9 (0.37) IDO1KCNH2CYP2C9
SCHEMBL22862454 0.71 GAA (0.53) IDO1KCNH2FGFR1HSD17B10GAA
SCHEMBL29490273 0.71 GAA (0.53) IDO1KCNH2FGFR1HSD17B10GAA
SCHEMBL30497277 0.70 HSD17B10 (0.53) IDO1KCNH2CYP2C9FGFR1HSD17B10
SCHEMBL11171 0.70 SMN1; SMN2 (0.50) FGFR1HSD17B10GAANPC1ALDH1A1
SCHEMBL31196606 0.69 IDO1 (0.52) IDO1KCNH2CYP2C9ALDH1A1
SCHEMBL30497269 0.69 GAA (0.70) FGFR1HSD17B10GAANPC1ALDH1A1
SCHEMBL4287769 0.68 GAA (0.57) FGFR1HSD17B10GAANPC1ALDH1A1

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-4651877-A1 INHIBITORS OF ACTIVIN RECEPTOR TYPE 1 (ACVR1) AND ACTIVIN RECEPTOR LIKE TYPE 1 (ACVRL1), AND METHODS USING SAME Baylor College of Medicine (US) 2025-11-26 EP disclosed
WO-2024155715-A1 INHIBITORS OF ACTIVIN RECEPTOR TYPE 1 (ACVR1) AND ACTIVIN RECEPTOR LIKE TYPE 1 (ACVRL1), AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2024-07-25 WO disclosed