SCHEMBL30319783

SCHEMBL30319783

O=C1Cc2c([nH]c3ccccc23)-c2cc(I)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 1.00
CCNB2 O95067 18/20 1.00
CDK1 P06493 18/20 1.00
CCNB1 P14635 18/20 1.00
CCNB3 Q8WWL7 18/20 1.00
CDK5 Q00535 18/20 1.00
CDK5R1 Q15078 18/20 1.00
CCNA2 P20248 4/20 0.71
CDK2 P24941 4/20 0.71
CCNA1 P78396 4/20 0.71
CCNT1 O60563 3/20 0.71
CDK9 P50750 3/20 0.71
SIRT2 Q8IXJ6 1/20 0.71
SIRT1 Q96EB6 1/20 0.71
GSK3A P49840 3/20 0.57
CCNT2 O60583 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
CDC7 O00311 1/20 0.57
PLK4 O00444 1/20 0.57

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
SCHEMBL5690374 1.00 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL20257889 0.86 GSK3B (0.75) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL30319854 0.85 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL4167384 0.85 GSK3B (0.75) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL5688936 0.85 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL30319766 0.84 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL5689156 0.84 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
Paullone SCHEMBL3178594 0.83 CCNB2 (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
Paullone SCHEMBL30319797 0.83 CCNB2 (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
Paullone SCHEMBL29407267 0.83 CCNB2 (1.00) GSK3BCCNB2CDK1CCNB1CCNB3

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
CN-115969814-A Novel pharmaceutical formulations containing indirubin and derivatives thereof and methods of making and using the same 法斯瑞斯公司 2023-04-18 CN disclosed