Sugi Predict

Sugi Predict / Compounds / SCHEMBL24914558

SCHEMBL24914558

SCHEMBL24914558

O=c1c2c(n3ccnc3n1Cc1ccc(Cl)cc1)CCN(Cc1cccc(Cl)c1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 19/20 1.00
▸ CYP3A4 P08684 1/20 0.84
▸ GNRHR P30968 1/20 0.46

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
SCHEMBL30130148 1.00 CLPP (1.00) CLPPCYP3A4GNRHR
SCHEMBL24914836 0.95 CLPP (1.00) CLPPCYP3A4GNRHR
SCHEMBL30130267 0.95 CLPP (1.00) CLPPCYP3A4GNRHR
SCHEMBL30130154 0.94 CLPP (0.88) CLPPCYP3A4GNRHR
SCHEMBL24914818 0.94 CLPP (1.00) CLPPCYP3A4GNRHR
SCHEMBL28984476 0.94 CLPP (0.88) CLPPCYP3A4GNRHR
SCHEMBL28984510 0.94 CLPP (0.88) CLPPCYP3A4GNRHR
SCHEMBL30130205 0.94 CLPP (1.00) CLPPCYP3A4GNRHR
SCHEMBL30130012 0.94 CLPP (0.88) CLPPCYP3A4GNRHR
SCHEMBL24915164 0.92 CLPP (1.00) CLPPCYP3A4GNRHR

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
WO-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 — — WO disclosed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 — — CN disclosed