SCHEMBL30394643

SCHEMBL30394643

Cc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cn2)ncc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 17/20 1.00
CDK6 Q00534 17/20 1.00
CCNK O75909 15/20 1.00
CDK9 P50750 15/20 1.00
CCNA2 P20248 8/20 0.83
CDK2 P24941 8/20 0.83

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
SCHEMBL30394812 0.91 CCNA2 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30394635 0.89 CCNA2 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30395254 0.89 CCND3 (0.80) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30395002 0.89 CCND3 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30394979 0.89 CCND3 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL23409097 0.88 CCNA2 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30394835 0.88 CCNA2 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30395221 0.87 ALK (0.79) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL30394993 0.87 CCND3 (1.00) CCND3CDK6CCNKCDK9CCNA2
SCHEMBL18696335 0.87 CCNK (0.79) CCND3CDK6CCNKCDK9CCNA2

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