SCHEMBL26868026

SCHEMBL26868026

CC(C)c1cnn2c(N)cc(CC3CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.37
CDK7 P50613 7/20 0.37
CCNE1 P24864 6/20 0.37
CCNH P51946 5/20 0.37
MNAT1 P51948 5/20 0.37
CDK1 P06493 4/20 0.37
CDK9 P50750 8/20 0.37
CHEK1 O14757 4/20 0.37
CCNA2 P20248 4/20 0.37
CCNA1 P78396 4/20 0.37
GSK3B P49841 2/20 0.33
CDK4 P11802 3/20 0.33
CDK6 Q00534 3/20 0.33
CDK5 Q00535 3/20 0.33
CDK8 P49336 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CDK5R1 Q15078 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
SCHEMBL26869088 0.95 CDK2 (0.38) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL26868957 0.95 CDK2 (0.38) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL26868021 0.82 CHEK1 (0.36) CDK2CHEK1CCNA2CCNA1
SCHEMBL26874963 0.82 CDK2 (0.42) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL26868024 0.80 CHEK1 (0.53) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL26868107 0.78 CHEK1 (0.36) CDK2CHEK1CCNA2CCNA1
SCHEMBL26869018 0.77 CHEK1 (0.37) CDK2CHEK1CCNA2CCNA1
SCHEMBL26868951 0.77 CHEK1 (0.37) CDK2CHEK1CCNA2CCNA1
SCHEMBL26868023 0.76 GRM2 (0.34) CDK2CHEK1CCNA2CCNA1
SCHEMBL26868955 0.75 CHEK1 (0.54) CDK2CDK1CDK9CHEK1CCNA2

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