SCHEMBL6631769

SCHEMBL6631769

O=C1NC(=O)c2c1c1c(c3[nH]c4cc(Br)ccc4c23)Cc2ccccc2-1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.63
CCND1 P24385 11/20 0.63
CCNE2 O96020 7/20 0.63
CCNE1 P24864 7/20 0.63
CDK2 P24941 7/20 0.63
CAMK2B Q13554 6/20 0.63
CAMK2G Q13555 6/20 0.63
CAMK2D Q13557 6/20 0.63
CAMK2A Q9UQM7 6/20 0.63
CCNB2 O95067 4/20 0.63
CDK1 P06493 4/20 0.63
CCNB1 P14635 4/20 0.63
CCNB3 Q8WWL7 4/20 0.63
CDK5 Q00535 3/20 0.63
CDK5R1 Q15078 3/20 0.63
CCNA2 P20248 2/20 0.63
CCNT1 O60563 1/20 0.63
EIF2AK2 P19525 1/20 0.63
CDK9 P50750 1/20 0.63
MAP3K9 P80192 3/20 0.60

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
SCHEMBL6629885 0.91 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6632580 0.87 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3075228 0.86 MAP3K9 (0.80) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22566990 0.79 CDK4 (0.86) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1395043 0.78 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6627743 0.76 PRKD3 (0.65) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6630190 0.76 CDK4 (0.62) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7354146 0.76 MAP3K9 (0.68) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3268039 0.76 MAP3K9 (0.76) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL6630441 0.76 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088823-B1 Fused pyrrolocarbazoles CEPHALON INC (US) 2004-12-29 EP disclosed
EP-0785938-B1 FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2002-01-02 EP disclosed
EP-1088823-A1 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2001-04-04 EP disclosed
US-5705511-A ENZYME INHIBITORS, ANTIINFLAMMATORY, TROPHIC FACTOR, ANTICANCER CELL GROWTH CEPHALON, INC. (US) 1998-01-06 US disclosed
US-5591855-A KINASE INHIBITORS, TROPHIC FACTOR-INDUCED ACTIVITY ENHANCEMENT, CELL SURVIVAL CEPHALON, INC. (US) 1997-01-07 US disclosed