SCHEMBL28101239

SCHEMBL28101239

CCn1cc(C2=C(c3cn(Cc4ccccc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
GSK3B P49841 3/20 0.53
GSK3A P49840 2/20 0.53
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CDK2 P24941 2/20 0.53
MEN1 O00255 1/20 0.53
RGS12 O14924 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
CCNB2 O95067 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CDK1 P06493 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 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
SCHEMBL27811062 0.91 SIRT2 (0.64) SIRT2CDK4CCND1CDK2PDE4A
SCHEMBL28101313 0.88 SIRT2 (0.54) SIRT2GSK3BCDK4CCND1CDK2
SCHEMBL28101312 0.88 SIRT2 (0.54) SIRT2GSK3BGSK3ACDK4CCND1
SCHEMBL28101198 0.88 SIRT2 (0.56) SIRT2LMNAPDE4APDE4BPDE4C
SCHEMBL8166825 0.85 SIRT2 (0.68) SIRT2CDK4CCND1CDK2CCNA2
SCHEMBL28101306 0.84 SIRT2 (0.54) SIRT2GSK3BCDK4CCND1CDK2
SCHEMBL28101203 0.82 IDH1 (0.60) SIRT2GSK3BGSK3ACDK4CCND1
SCHEMBL28101304 0.81 SIRT2 (0.53) SIRT2CDK4CCND1CDK2PDE4A
SCHEMBL8167903 0.81 CCNE2 (0.72) SIRT2GSK3BCDK4CCND1CDK2
SCHEMBL28101299 0.80 SIRT2 (0.51) SIRT2CDK4CCND1CDK2CAMK2D

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