SCHEMBL28101375

SCHEMBL28101375

CCn1cc(C2=C(c3cn(CO)c4cc(Cl)ccc34)C(=O)N(CO)C2=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.53
CDK9 P50750 3/20 0.53
SIRT2 Q8IXJ6 1/20 0.45
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
CA2 P00918 3/20 0.40
GSK3B P49841 3/20 0.39
GSK3A P49840 2/20 0.39
MEN1 O00255 1/20 0.39
RGS12 O14924 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
CCNB2 O95067 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 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
SCHEMBL20624154 0.94 CCNT1 (0.44) CCNT1CDK9SIRT2CYP3A4CYP2D6
SCHEMBL28661712 0.87 CCNT1 (0.53) CCNT1CDK9SIRT2CA12CA1
SCHEMBL20624147 0.87 CCNT1 (0.53) CCNT1CDK9SIRT2CA12CA1
SCHEMBL28660892 0.86 RPS6KB1 (0.48) CCNT1CDK9SIRT2CYP3A4GSK3B
SCHEMBL20623440 0.83 SIRT2 (0.52) CCNT1CDK9SIRT2CDK4CCNA2
SCHEMBL20624184 0.83 CCNT1 (0.53) CCNT1CDK9SIRT2CA12CA1
SCHEMBL20624191 0.82 CCNT1 (0.47) CCNT1CDK9SIRT2CA12CA1
SCHEMBL20624173 0.81 CCNT1 (0.44) CCNT1CDK9SIRT2ALDH1A1GSK3B
SCHEMBL28673650 0.80 CCNT1 (0.52) CCNT1CDK9SIRT2CA12CA1
SCHEMBL28101329 0.79 CCNT1 (0.54) CCNT1CDK9SIRT2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218206-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2022-03-04 CN disclosed
CN-110526903-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2021-12-10 CN disclosed
CN-106146475-A Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2016-11-23 CN disclosed
CN-106083830-A Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2016-11-09 CN disclosed