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Sugi Predict / Compounds / SCHEMBL30394635

SCHEMBL30394635

SCHEMBL30394635

CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C)n3)nc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 9/20 1.00
▸ CDK2 P24941 9/20 1.00
▸ CCND3 P30281 14/20 0.80
▸ CDK6 Q00534 14/20 0.80
▸ CCNK O75909 13/20 0.80
▸ CDK9 P50750 13/20 0.80
▸ CTSC P53634 2/20 0.64
▸ LRRK2 Q5S007 1/20 0.56

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
SCHEMBL30394643 0.89 CCND3 (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL30395234 0.88 CCNA2 (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL30394812 0.88 CCNA2 (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL30395002 0.86 CCND3 (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL30394979 0.86 CCND3 (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL30395254 0.78 CCND3 (0.80) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL24842795 0.78 CTSC (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL29816621 0.78 CTSC (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL23409097 0.77 CCNA2 (1.00) CCNA2CDK2CCND3CDK6CCNK
SCHEMBL30394835 0.77 CCNA2 (1.00) CCNA2CDK2CCND3CDK6CCNK

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-111620852-B 5-chloro-pyrimidine-2, 4-diamine compound, and preparation method and application thereof 镇江植生源农业科技有限公司 2023-05-09 — — CN disclosed