SCHEMBL29544807

SCHEMBL29544807

O=C1NCCn2nc(-c3ccnc4sccc34)c(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.33
CDC7 O00311 1/20 0.31
PARP1 P09874 1/20 0.30
MEN1 O00255 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
SCHEMBL29544520 0.83 USP7 (0.38) HTR2CCDC7PARP1
SCHEMBL29544753 0.80 CCNC (0.36) CDC7PARP1
SCHEMBL29545101 0.79 CSNK1D (0.43)
SCHEMBL29544960 0.76 PARP1 (0.32) CDC7PARP1
SCHEMBL29545095 0.74 USP7 (0.41) CDC7PARP1
SCHEMBL29544561 0.74 MET (0.34)
SCHEMBL29545167 0.74 PIK3CA (0.32) PARP1
SCHEMBL29544651 0.71 PARP10 (0.42) CDC7
SCHEMBL29544593 0.71 CDC7 (0.52) CDC7PARP1
SCHEMBL31728753 0.71 HTR2C (0.37) HTR2CPARP1MEN1

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed