SCHEMBL5823487

SCHEMBL5823487

CN1CCC(C(=O)Nc2cccc(-c3ccnc4c(C(=O)c5cccs5)cnn34)c2)CC1.O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)OCc1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.72
BRAF P15056 14/20 0.43
MAPK13 O15264 1/20 0.40
PIM1 P11309 1/20 0.40
F10 P00742 3/20 0.39

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
SCHEMBL5808313 0.91 CDKN1A (0.88) CDKN1ABRAFMAPK13PIM1
SCHEMBL5807610 0.90 CDKN1A (0.68) CDKN1ABRAFMAPK13PIM1
SCHEMBL5812342 0.85 CDKN1A (0.68) CDKN1ABRAFMAPK13PIM1
SCHEMBL5823272 0.84 CDKN1A (1.00) CDKN1ABRAFMAPK13PIM1
SCHEMBL5800105 0.83 CDKN1A (0.65) CDKN1ABRAFMAPK13PIM1
SCHEMBL5820313 0.83 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1
SCHEMBL5822354 0.83 CDKN1A (0.93) CDKN1ABRAFMAPK13PIM1
SCHEMBL5814680 0.83 CDKN1A (0.86) CDKN1ABRAFMAPK13PIM1
SCHEMBL5821207 0.82 CDKN1A (0.92) CDKN1ABRAFMAPK13PIM1
SCHEMBL5808580 0.82 CDKN1A (0.92) CDKN1ABRAFMAPK13PIM1

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