SCHEMBL29544776

SCHEMBL29544776

COc1cc2nccc(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.38
SRC P12931 7/20 0.38
EGFR P00533 7/20 0.36
KDR P35968 3/20 0.36
DRD2 P14416 1/20 0.36
PDGFRA P16234 1/20 0.36
BMPR1B O00238 1/20 0.35
GAK O14976 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
EPHA1 P21709 1/20 0.35
EPHA8 P29322 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP2K5 Q13163 1/20 0.35
COQ8A Q8NI60 1/20 0.35
NLK Q9UBE8 1/20 0.35
ERBB2 P04626 1/20 0.35
CCNT1 O60563 1/20 0.34

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
SCHEMBL29545067 1.00 CSF1R (0.38) CSF1RSRCEGFRKDRDRD2
SCHEMBL29544467 1.00 CSF1R (0.38) CSF1RSRCEGFRKDRDRD2
SCHEMBL29544648 0.90 RIPK2 (0.35) SRCKDRGAKRIPK2COQ8A
SCHEMBL29544685 0.90 RIPK2 (0.35) SRCKDRGAKRIPK2COQ8A
SCHEMBL29544839 0.89 TYK2 (0.34) EGFRCCNT1CDK9TYK2
SCHEMBL29544621 0.85 TYK2 (0.34) CCNT1CDK9TYK2
SCHEMBL29544718 0.85 TYK2 (0.32) SRCCCNT1CDK9TYK2
SCHEMBL29545142 0.84 CSF1R (0.39) CSF1RSRCEGFRKDRPDGFRA
SCHEMBL29545127 0.84 TYK2 (0.32) CCNT1CDK9TYK2
SCHEMBL29544930 0.84 TYK2 (0.32) CCNT1CDK9TYK2

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