SCHEMBL29545167

SCHEMBL29545167

COc1cc2c(-c3nn4c(c3Cl)C(=O)NCC4)ccnc2cn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PARP1 P09874 4/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 1/20 0.31
TGFBR1 P36897 2/20 0.31
THRB P10828 1/20 0.30
MAPK14 Q16539 1/20 0.30
GRM2 Q14416 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
SCHEMBL29544561 0.92 MET (0.34) PIK3CAMTORTGFBR1THRBMAPK14
SCHEMBL29544735 0.82 CCNT1 (0.34) PIK3CAMTORPARP1
SCHEMBL29544652 0.81 NCF1 (0.36) TGFBR1
SCHEMBL29544372 0.81 GRM2 (0.36) GRM2
SCHEMBL29544338 0.81 GRM2 (0.36) GRM2
SCHEMBL29544753 0.80 CCNC (0.36) PARP1TGFBR1THRBMAPK14
SCHEMBL29544881 0.80 ATM (0.38)
SCHEMBL29545042 0.79 PIM1 (0.36)
SCHEMBL29545041 0.79 PIM1 (0.36)
SCHEMBL29544663 0.79 RIPK3 (0.36) PIK3CAMTORGSK3BTGFBR1

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