SCHEMBL29544798

SCHEMBL29544798

COc1cc2nccc(-c3nn4c(c3Nc3cccc(F)c3OC)C(=O)NCC4)c2cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.38
ABCG2 Q9UNQ0 1/20 0.34
TYK2 P29597 2/20 0.34
ATM Q13315 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CSF1R P07333 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL29544780 0.92 EGFR (0.36) EGFRABCG2TYK2ATMCCNT1
SCHEMBL29544700 0.89 EGFR (0.40) EGFRTYK2CCNT1CDK9CSF1R
SCHEMBL29544572 0.88 EGFR (0.40) EGFRTYK2CCNT1CDK9CSF1R
SCHEMBL29544468 0.85 EGFR (0.41) EGFRTYK2CCNT1CDK9
SCHEMBL29544647 0.84 EGFR (0.40) EGFRKDR
SCHEMBL29545142 0.82 CSF1R (0.39) EGFRTYK2CCNT1CDK9PDGFRA
SCHEMBL29545092 0.80 EGFR (0.39) EGFRTYK2CCNT1CDK9PDGFRA
SCHEMBL29544881 0.80 ATM (0.38) EGFRABCG2ATMCCNT1CDK9
SCHEMBL29544736 0.80 EGFR (0.40) EGFRTYK2CCNT1CDK9
SCHEMBL29545140 0.79 EGFR (0.42) EGFRTYK2

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