SCHEMBL21437211

SCHEMBL21437211

C=C(OCC)c1nc(-c2cccc(CNC(=O)O)c2)c2ccn(CC3CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.42
▸ AVPR1B P47901 3/20 0.38
▸ MMP13 P45452 12/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL21437626 0.90 BRD4 (0.41) MDM2
SCHEMBL21437212 0.83 AVPR1B (0.37) MDM2AVPR1BMMP13MMP3JAK2
SCHEMBL21437663 0.83 MDM2 (0.42) MDM2AVPR1BMMP13
SCHEMBL21455903 0.83 BRD4 (0.41) MDM2EPHX2
SCHEMBL21438042 0.82 AVPR1B (0.39) MDM2AVPR1BMMP13MMP3
SCHEMBL21455901 0.81 MDM2 (0.45) MDM2
SCHEMBL21438206 0.80 PKM (0.38) —
SCHEMBL28960362 0.79 CYP2C9 (0.36) —
SCHEMBL21437403 0.78 SMN1; SMN2 (0.36) JAK2
SCHEMBL21437813 0.76 CFD (0.48) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 — — CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 — — CN disclosed
CN-112272553-A Substituted benzofurans, benzopyrrole, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2021-01-26 — — CN disclosed
EP-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 — — EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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