SCHEMBL29544700

SCHEMBL29544700

COc1cc2nccc(-c3nn4c(c3Nc3cccc(F)c3OC)C(=O)NCC4)c2cc1N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.40
CSF1R P07333 2/20 0.36
TYK2 P29597 3/20 0.36
ROCK2 O75116 4/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
MET P08581 2/20 0.34

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
SCHEMBL29544572 0.92 EGFR (0.40) EGFRCSF1RTYK2ROCK2CCNT1
SCHEMBL29545092 0.91 EGFR (0.39) EGFRCSF1RTYK2CCNT1CDK9
SCHEMBL29544468 0.91 EGFR (0.41) EGFRTYK2ROCK2CCNT1CDK9
SCHEMBL29544798 0.89 EGFR (0.38) EGFRCSF1RTYK2CCNT1CDK9
SCHEMBL29544647 0.87 EGFR (0.40) EGFR
SCHEMBL29545142 0.85 CSF1R (0.39) EGFRCSF1RTYK2CCNT1CDK9
SCHEMBL29544775 0.83 EGFR (0.47) EGFRROCK2
SCHEMBL29544736 0.83 EGFR (0.40) EGFRTYK2CCNT1CDK9
SCHEMBL29544955 0.83 EGFR (0.39) EGFRCSF1RTYK2CCNT1CDK9
SCHEMBL29544781 0.82 CCNT1 (0.34) EGFRCSF1RTYK2CCNT1CDK9

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