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Sugi Predict / Compounds / SCHEMBL21885736

SCHEMBL21885736

SCHEMBL21885736

COc1cc(-c2cc(C#N)c(-c3cc(F)ccc3OC)c(C(=O)NC(=N)NCC(F)F)c2O)c(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC(=N)NCCF

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 0.33
▸ CDK9 P50750 15/20 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
SCHEMBL23875071 0.88 CCNT1 (0.39) CCNT1CDK9
SCHEMBL23875059 0.87 CCNT1 (0.38) CCNT1CDK9
SCHEMBL21884637 0.81 CCNT1 (0.39) CCNT1CDK9
SCHEMBL23854863 0.77 CCNT1 (0.41) CCNT1CDK9
SCHEMBL21884633 0.76 CCNT1 (0.39) CCNT1CDK9
SCHEMBL21884375 0.76 ALDH1A1 (0.40) CCNT1CDK9
SCHEMBL21885734 0.74 CCNT1 (0.42) CCNT1CDK9
SCHEMBL23854890 0.72 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884516 0.72 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884621 0.71 CCNT1 (0.34) CCNT1CDK9

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-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 — — WO disclosed