SCHEMBL6080935

SCHEMBL6080935

O=C1NC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1cccn21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.60
CCND1 P24385 8/20 0.60
CCNE2 O96020 5/20 0.60
CCNE1 P24864 5/20 0.60
CDK2 P24941 5/20 0.60
CCNB2 O95067 3/20 0.60
CDK1 P06493 3/20 0.60
CCNB1 P14635 3/20 0.60
CCNB3 Q8WWL7 3/20 0.60
CAMK2B Q13554 3/20 0.51
CAMK2G Q13555 3/20 0.51
CAMK2D Q13557 3/20 0.51
CAMK2A Q9UQM7 3/20 0.51
CDK5 Q00535 3/20 0.51
CDK5R1 Q15078 3/20 0.51
CCNA2 P20248 2/20 0.51
CCNT1 O60563 1/20 0.51
EIF2AK2 P19525 1/20 0.51
CDK9 P50750 1/20 0.51
ROCK2 O75116 3/20 0.44

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
SCHEMBL6081058 0.87 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6081478 0.86 ROCK2 (0.64) CDK4CDK5CDK5R1ROCK2CHEK1
SCHEMBL6080997 0.84 CDK4 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6081666 0.83 CDK4 (0.46) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8127688 0.79 CDK4 (0.86) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6081708 0.78 CHEK1 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6080498 0.73 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6081548 0.71 CDK4 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6086984 0.69 CHEK1 (0.48) CDK5CDK5R1ROCK2CHEK1WEE1
SCHEMBL6030439 0.68 CDK4 (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004428-A1 Pyrrolo (3,4-c) carbazole and pyrido (2,3-b) pyrrolo (3,4-e) indole derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-01-05 US disclosed