SCHEMBL29544665

SCHEMBL29544665

C[C@@H]1CNC(=O)c2c(Cl)c(-c3ccnc4ccsc34)nn21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.35
RPS6KA3 P51812 1/20 0.32
ACVR1 Q04771 2/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
KCNH2 Q12809 1/20 0.30
ATR Q13535 1/20 0.30
PDPK1 O15530 1/20 0.30
PARP1 P09874 1/20 0.30
P2RX7 Q99572 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL29545124 1.00 USP7 (0.35) USP7RPS6KA3ACVR1PIK3C3KCNH2
SCHEMBL29544573 0.84 PIK3C3 (0.31) USP7PIK3C3KCNH2
SCHEMBL29544560 0.84 PIK3C3 (0.31) USP7PIK3C3KCNH2
SCHEMBL29544718 0.79 TYK2 (0.32)
SCHEMBL29544520 0.78 USP7 (0.38) USP7ACVR1PDPK1PARP1
SCHEMBL29544635 0.77 NCF1 (0.38) ACVR1
SCHEMBL29544676 0.77 NCF1 (0.38) ACVR1
SCHEMBL29545540 0.76 NCF1 (0.39) ACVR1
SCHEMBL29544629 0.76 NCF1 (0.39) ACVR1
SCHEMBL29544372 0.75 GRM2 (0.36) PIK3C3

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