SCHEMBL29544491

SCHEMBL29544491

COc1c(Cl)cccc1Nc1c(-c2ccncc2)nn2c1C(=O)NCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 5/20 0.38
TYK2 P29597 9/20 0.37
RAF1 P04049 1/20 0.37
CDC7 O00311 1/20 0.37
PDE4B Q07343 1/20 0.34
EGFR P00533 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL29544530 0.88 TYK2 (0.37) TYK2EGFR
SCHEMBL29544410 0.88 TYK2 (0.38) TYK2EGFR
SCHEMBL29544730 0.86 EGFR (0.42) BUB1TYK2EGFR
SCHEMBL29545774 0.85 TYK2 (0.35) BUB1TYK2EGFR
SCHEMBL29544599 0.84 EGFR (0.36) TYK2RAF1EGFR
SCHEMBL29544373 0.84 TYK2 (0.41) TYK2PARP1
SCHEMBL29544819 0.84 EGFR (0.37) TYK2EGFR
SCHEMBL29544583 0.83 TYK2 (0.40) TYK2
SCHEMBL29545250 0.83 TYK2 (0.40) TYK2
SCHEMBL29545283 0.83 TYK2 (0.38) TYK2RAF1EGFRPARP1

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