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SCHEMBL5823635

SCHEMBL5823635

CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cccc(-c3ccnc4c(C(=O)c5cccs5)cnn34)c2)CC1.O=C(c1cccs1)c1cnn2c(-c3cccc(N(C(=O)c4c(Cl)cccc4Cl)C(=O)c4c(Cl)cccc4Cl)c3)ccnc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.57
▸ BRAF P15056 16/20 0.42
▸ TGFBR1 P36897 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL5800545 0.91 CDKN1A (0.66) CDKN1ABRAFTGFBR1
SCHEMBL5823656 0.84 CDKN1A (0.79) CDKN1ABRAF
SCHEMBL5809472 0.82 CDKN1A (0.70) CDKN1ABRAF
SCHEMBL5813581 0.80 CDKN1A (0.61) CDKN1ABRAF
SCHEMBL6071504 0.79 CDKN1A (0.75) CDKN1ABRAF
SCHEMBL6071244 0.79 CDKN1A (0.69) CDKN1ABRAF
SCHEMBL5946435 0.79 CDKN1A (0.74) CDKN1ABRAF
SCHEMBL5820690 0.78 CDKN1A (0.73) CDKN1ABRAF
SCHEMBL5822798 0.77 CDKN1A (0.70) CDKN1ABRAF
SCHEMBL5808794 0.75 CDKN1A (0.77) CDKN1ABRAF

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-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 — — WO claimed