SCHEMBL29544753

SCHEMBL29544753

O=C1NCCn2nc(-c3ccnc4ccncc34)c(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.36
CDK8 P49336 6/20 0.36
CDC7 O00311 1/20 0.36
THRB P10828 4/20 0.34
TGFBR1 P36897 4/20 0.34
MAPK14 Q16539 4/20 0.34
PARP1 P09874 3/20 0.33
NFATC1 O95644 1/20 0.32
DYRK1A Q13627 1/20 0.32
P2RX7 Q99572 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MAP4K1 Q92918 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL29545101 0.83 CSNK1D (0.43) MAPK14
SCHEMBL29544561 0.82 MET (0.34) THRBTGFBR1MAPK14
SCHEMBL29545167 0.80 PIK3CA (0.32) THRBTGFBR1MAPK14PARP1
SCHEMBL29544960 0.80 PARP1 (0.32) CDC7PARP1
SCHEMBL29544741 0.80 CDC7 (0.36) CDC7
SCHEMBL29544807 0.80 HTR2C (0.33) CDC7PARP1
SCHEMBL29544520 0.79 USP7 (0.38) CDC7PARP1
SCHEMBL29544593 0.76 CDC7 (0.52) CDK8CDC7PARP1DYRK1AKDM5B
SCHEMBL29545095 0.76 USP7 (0.41) CDC7THRBTGFBR1MAPK14PARP1
SCHEMBL31729065 0.74 CDC7 (0.32) CDC7

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