SCHEMBL26871082

SCHEMBL26871082

CC(C)(c1cc(Cl)n2ncc(Cl)c2n1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.36
▸ CCNT1 O60563 3/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CDK7 P50613 2/20 0.36
▸ CCNH P51946 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ CDK3 Q00526 2/20 0.36
▸ CDK6 Q00534 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ GSK3B P49841 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL26871074 0.87 KDM4E (0.35) KDM4EALDH1A1MAPTRAB9APIM1
SCHEMBL26871088 0.86 KDM4E (0.32) KDM4EALDH1A1MAPTRAB9APIM1
SCHEMBL26871139 0.82 KDM4E (0.34) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL26873342 0.81 CDK2 (0.36) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26872835 0.81 CDK2 (0.46) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26873337 0.79 CDK2 (0.39) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26872838 0.76 CDK9 (0.66) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26871218 0.75 KDM4E (0.34) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26870905 0.74 PDE10A (0.51) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26868395 0.70 PIM1 (0.36) CDK2CCNA2CCNA1KDM4EALDH1A1

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
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
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