SCHEMBL29545142

SCHEMBL29545142

COc1cc2nccc(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.39
EGFR P00533 3/20 0.39
SRC P12931 6/20 0.39
KDR P35968 3/20 0.37
LCK P06239 2/20 0.37
MET P08581 1/20 0.37
TEK Q02763 1/20 0.37
PDGFRA P16234 1/20 0.36
BMPR1B O00238 1/20 0.36
GAK O14976 1/20 0.36
EPHB6 O15197 1/20 0.36
RIPK2 O43353 1/20 0.36
ABL1 P00519 1/20 0.36
EPHA1 P21709 1/20 0.36
EPHA8 P29322 1/20 0.36
ACVR1 Q04771 1/20 0.36
MAP2K5 Q13163 1/20 0.36
COQ8A Q8NI60 1/20 0.36
NLK Q9UBE8 1/20 0.36
NCF1 P14598 1/20 0.36

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
SCHEMBL29545092 0.95 EGFR (0.39) CSF1REGFRSRCKDRLCK
SCHEMBL29544955 0.94 EGFR (0.39) CSF1REGFRSRCKDRLCK
SCHEMBL29544981 0.93 EGFR (0.36) CSF1REGFRSRCCCNT1CDK9
SCHEMBL29544780 0.91 EGFR (0.36) CSF1REGFRKDRPDGFRACCNT1
SCHEMBL29544781 0.89 CCNT1 (0.34) CSF1REGFRCCNT1CDK9TYK2
SCHEMBL29544735 0.89 CCNT1 (0.34) EGFRCCNT1CDK9TYK2
SCHEMBL29544407 0.89 CCNT1 (0.34) CSF1REGFRCCNT1CDK9TYK2
SCHEMBL29544750 0.89 EGFR (0.40) CSF1REGFRKDR
SCHEMBL29544972 0.87 EGFR (0.37) EGFRCCNT1CDK9TYK2
SCHEMBL29544988 0.86 CCNT1 (0.37) EGFRCCNT1CDK9TYK2

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