SCHEMBL31060273

SCHEMBL31060273

CN1CCN(c2ccc(Oc3ncc4c(n3)-c3noc(C(N)=O)c3CC4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.49
▸ CCNA2 P20248 12/20 0.49
▸ AURKA O14965 6/20 0.49
▸ CDK4 P11802 5/20 0.49
▸ CCND3 P30281 5/20 0.49
▸ CDK6 Q00534 5/20 0.49
▸ CCNA1 P78396 7/20 0.47
▸ PLK1 P53350 6/20 0.44
▸ PLK3 Q9H4B4 4/20 0.44
▸ PLK2 Q9NYY3 3/20 0.44
▸ RPS6KA4 O75676 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ IMPDH2 P12268 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1E P49674 1/20 0.44

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
SCHEMBL526058 1.00 CDK2 (0.49) CDK2CCNA2AURKACDK4CCND3
SCHEMBL526265 0.88 CDK2 (0.49) CDK2CCNA2AURKACDK4CCND3
SCHEMBL9940553 0.84 CDK2 (0.69) CDK2CCNA2AURKACDK4CCND3
Trifluoroacetic Acid SCHEMBL14990435 0.84 CCNA2 (0.45) CDK2CCNA2AURKACDK4CCND3
SCHEMBL525847 0.81 CDK2 (0.73) CDK2CCNA2AURKACDK4CCND3
SCHEMBL9940579 0.76 CDK2 (0.70) CDK2CCNA2AURKACDK4CCND3
SCHEMBL526773 0.76 PLK1 (0.76) CDK2CCNA2CCNA1PLK1PLK3
SCHEMBL10092919 0.74 CHEK1 (0.38) CDK2CCNA2AURKACDK4CCND3
SCHEMBL10092916 0.73 PLK1 (0.68) CDK2CCNA2CCNA1PLK1PLK3
SCHEMBL525992 0.71 CDK2 (0.59) CDK2CCNA2AURKACDK4CCND3

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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