SCHEMBL28637417

SCHEMBL28637417

O=Cc1c(C2CC2)nc2c(Cl)nccn12

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.31
CDK2 P24941 3/20 0.31
CCNT1 O60563 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK9 P50750 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CSNK1E P49674 1/20 0.30
GRIA1 P42261 1/20 0.30

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
SCHEMBL6937973 0.79 CSNK1E (0.31) CCNE1CDK2CSNK1EGRIA1
SCHEMBL2872437 0.72 CSNK1E (0.35) KDM4EMAPTNPSR1CSNK1E
SCHEMBL18248806 0.67 AHCY (0.41) KDM4E
SCHEMBL19222268 0.66 CSNK1E (0.32) KDM4EMAPTNPSR1CSNK1E
SCHEMBL6937647 0.63 PDE10A (0.43) MAPT
SCHEMBL21138249 0.63 HSD11B1 (0.45) CCNE1CDK2CCNT1CDK1CDK4
SCHEMBL14685172 0.63 PDE10A (0.40) CCNE1CDK2GRIA1
SCHEMBL21138911 0.62 HSD11B1 (0.37)
SCHEMBL5062796 0.62 KDM4E (0.37) CCNT1CDK9KDM4E
SCHEMBL21138331 0.62 HSD11B1 (0.47) CCNE1CDK2CCNT1CDK1CDK4

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-113493469-A Compound capable of being used as immunomodulator, preparation method and application thereof 成都倍特药业股份有限公司 2021-10-12 CN disclosed