SCHEMBL7530835

SCHEMBL7530835

Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccc(-c3nccs3)cc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.42
PIM1 P11309 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
GSK3B P49841 3/20 0.41
PRKCA P17252 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
QPCT Q16769 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL7535875 0.85 CDK2 (0.60) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL668748 0.84 CCNE2 (0.57) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7532464 0.83 CCNE2 (0.44) CDK2GSK3BPRKCACCNE2CDK4
SCHEMBL7990839 0.83 CDK2 (0.43) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL7535417 0.83 GSK3B (0.58) CDK2GSK3BPRKCACCNE2CDK4
SCHEMBL7526686 0.83 GSK3B (0.44) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL7988627 0.82 CDK2 (0.43) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL7524287 0.82 CDK2 (0.44) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL7976857 0.81 GSK3B (0.47) CDK2GSK3BCCNE2CDK4CCND1
SCHEMBL7508119 0.79 CCNE2 (0.56) CDK2CCNE2CDK4CCND1CCNE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP claimed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO claimed
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed