SCHEMBL8300692

SCHEMBL8300692

Cn1cc(C2=C(c3nn(CCc4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.47
GSK3A P49840 2/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CDK2 P24941 2/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
CCNB2 O95067 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CCNB1 P14635 1/20 0.47

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
SCHEMBL14032339 0.89 CAMK2D (0.39) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL8302980 0.88 GSK3B (0.55) GSK3BPRKCAPRKCGPRKCB
SCHEMBL14032411 0.82 GSK3B (0.43) GSK3BPRKCAPRKCGPRKCB
SCHEMBL4686966 0.81 GSK3B (0.51) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL3781580 0.79 GSK3B (0.66) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL5752565 0.78 GSK3B (0.54) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL5757844 0.78 GSK3B (0.67) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL4689265 0.78 GSK3B (0.50) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL4691089 0.78 GSK3B (0.50) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL5754325 0.77 GSK3B (0.69) GSK3BGSK3ACDK4CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654255-B1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-27 EP disclosed
WO-2005000836-A1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed