SCHEMBL29544745

SCHEMBL29544745

COc1c(Cl)cccc1Nc1c(-c2ccnc3cnc(NC(=O)OC(C)(C)C)cc23)nn2c1C(=O)NCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 13/20 0.36
RIPK3 Q9Y572 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ABL1 P00519 1/20 0.33
RORC P51449 1/20 0.33
TGFBR1 P36897 1/20 0.33
CDK9 P50750 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
JAK1 P23458 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
SCHEMBL29544758 0.93 EGFR (0.39) TYK2RIPK3RORCTGFBR1CDK9
SCHEMBL29544580 0.89 TYK2 (0.37) TYK2
SCHEMBL29545505 0.88 IRAK4 (0.41) TYK2RIPK3IRAK4TGFBR1MKNK2
SCHEMBL29544781 0.86 CCNT1 (0.34) TYK2CDK9
SCHEMBL29544735 0.86 CCNT1 (0.34) TYK2CDK9
SCHEMBL29544663 0.84 RIPK3 (0.36) RIPK3IRAK4ABL1RORCTGFBR1
SCHEMBL29545142 0.83 CSF1R (0.39) TYK2ABL1CDK9
SCHEMBL29544981 0.82 EGFR (0.36) TYK2CDK9
SCHEMBL29544407 0.82 CCNT1 (0.34) TYK2CDK9
SCHEMBL29544972 0.81 EGFR (0.37) TYK2CDK9

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