SCHEMBL8352252

SCHEMBL8352252

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cc(Br)ccc2n1C1C[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.55
CCND1 P24385 12/20 0.55
CCNE2 O96020 7/20 0.55
CCNE1 P24864 7/20 0.55
CDK2 P24941 7/20 0.55
CCNB2 O95067 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNB3 Q8WWL7 2/20 0.55
PRKCQ Q04759 4/20 0.53
CAMK2B Q13554 2/20 0.53
CAMK2G Q13555 2/20 0.53
CAMK2D Q13557 2/20 0.53
CAMK2A Q9UQM7 2/20 0.53
CCNT1 O60563 1/20 0.53
EIF2AK2 P19525 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK9 P50750 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53

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
SCHEMBL14440442 1.00 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8354746 0.93 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14440376 0.91 TOP1 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8352405 0.91 PRKCQ (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8350893 0.91 PRKCQ (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14440392 0.90 PRKCQ (0.62) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8352230 0.90 PRKCQ (0.62) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8354689 0.88 ROCK2 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8354096 0.85 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14440441 0.85 PRKCQ (0.50) 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
WO-2003051887-A1 N-CARBACYCLE MONOSUBSTITUTED INDOLOCARBAZOLES AS PROTEIN KINASE INHIBITORS NAD AG (DE) 2003-06-26 WO disclosed