SCHEMBL29544758

SCHEMBL29544758

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
TYK2 P29597 10/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
RORC P51449 1/20 0.34
TGFBR1 P36897 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
SCHEMBL29544745 0.93 TYK2 (0.36) TYK2CDK9RIPK3RORCTGFBR1
SCHEMBL29545531 0.89 TYK2 (0.35) EGFRTYK2CCNT1CDK9RORC
SCHEMBL29544843 0.89 FGFR1 (0.38) EGFRTYK2CD274
SCHEMBL29544468 0.86 EGFR (0.41) EGFRTYK2CCNT1CDK9
SCHEMBL29544580 0.82 TYK2 (0.37) EGFRTYK2
SCHEMBL29544663 0.82 RIPK3 (0.36) EGFRCDK9RIPK3RORCTGFBR1
SCHEMBL29544700 0.82 EGFR (0.40) EGFRTYK2CCNT1CDK9
SCHEMBL29544572 0.81 EGFR (0.40) EGFRTYK2CCNT1CDK9CD274
SCHEMBL29545505 0.80 IRAK4 (0.41) TYK2RIPK3TGFBR1
SCHEMBL29545140 0.79 EGFR (0.42) EGFRTYK2TGFBR1

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