SCHEMBL22630723

SCHEMBL22630723

CC1Cc2n[nH]c(-c3cscn3)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.34
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL17868237 0.82 P2RX7 (0.33) KDRPARP1
SCHEMBL22727513 0.76 USP30 (0.31) —
SCHEMBL22718273 0.74 PARP1 (0.34) PARP1
SCHEMBL28699292 0.74 PARP1 (0.34) PARP1
SCHEMBL22719152 0.71 PARP1 (0.34) PARP1
SCHEMBL29829859 0.71 GAA (0.35) PARP1
SCHEMBL22746961 0.70 HSD17B10 (0.38) PARP1
SCHEMBL17868262 0.70 ALDH1A1 (0.32) KDRPARP1
SCHEMBL31569029 0.69 MAPK1 (0.36) —
SCHEMBL24775047 0.69 PARP1 (0.33) PARP1

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
WO-2020221824-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 — — WO disclosed
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