SCHEMBL29545127

SCHEMBL29545127

COc1c(Cl)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@H]2C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL29544930 1.00 TYK2 (0.32) TYK2CCNT1CDK9
SCHEMBL29544607 0.91 EGFR (0.37) TYK2
SCHEMBL29544488 0.91 EGFR (0.37) TYK2
SCHEMBL29544718 0.89 TYK2 (0.32) TYK2CCNT1CDK9
SCHEMBL29544621 0.87 TYK2 (0.34) TYK2CCNT1CDK9
SCHEMBL29545365 0.85 TYK2 (0.33) TYK2CCNT1CDK9
SCHEMBL29544540 0.84 TYK2 (0.32) TYK2CCNT1CDK9
SCHEMBL29544839 0.84 TYK2 (0.34) TYK2CCNT1CDK9
SCHEMBL29544776 0.84 CSF1R (0.38) TYK2CCNT1CDK9
SCHEMBL29544467 0.84 CSF1R (0.38) TYK2CCNT1CDK9

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