SCHEMBL29544407

SCHEMBL29544407

COc1cc2nccc(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)c2cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TYK2 P29597 9/20 0.34
EGFR P00533 3/20 0.34
CSF1R P07333 5/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PARP1 P09874 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
SCHEMBL29544735 0.94 CCNT1 (0.34) CCNT1CDK9TYK2EGFRPIM1
SCHEMBL29545142 0.89 CSF1R (0.39) CCNT1CDK9TYK2EGFRCSF1R
SCHEMBL29544972 0.89 EGFR (0.37) CCNT1CDK9TYK2EGFRPARP1
SCHEMBL29544781 0.88 CCNT1 (0.34) CCNT1CDK9TYK2EGFRCSF1R
SCHEMBL29545092 0.87 EGFR (0.39) CCNT1CDK9TYK2EGFRCSF1R
SCHEMBL29544955 0.86 EGFR (0.39) CCNT1CDK9TYK2EGFRCSF1R
SCHEMBL29544981 0.85 EGFR (0.36) CCNT1CDK9TYK2EGFRCSF1R
SCHEMBL29544554 0.85 BRD4 (0.38) CCNT1CDK9TYK2EGFR
SCHEMBL29544988 0.84 CCNT1 (0.37) CCNT1CDK9TYK2EGFRPIM1
SCHEMBL29544438 0.84 TYK2 (0.36) CCNT1CDK9TYK2EGFRPIM1

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