SCHEMBL26868394

SCHEMBL26868394

CC(C)(c1cc(N)n2nccc2n1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.46
▸ CCNA1 P78396 3/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.39
▸ CDK9 P50750 14/20 0.36
▸ CCNT1 O60563 13/20 0.36
▸ CDK4 P11802 5/20 0.36
▸ CCND1 P24385 5/20 0.36
▸ CDK7 P50613 5/20 0.36
▸ CCNH P51946 4/20 0.36
▸ PDE10A Q9Y233 2/20 0.34
▸ CDK13 Q14004 2/20 0.33
▸ CDK12 Q9NYV4 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK3 Q00526 2/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK14 O94921 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CDK1 P06493 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
SCHEMBL26870905 0.83 PDE10A (0.51) CDK2CCNA1CCNA2CHEK1CDK9
SCHEMBL26871132 0.78 PDE10A (0.49) CDK2CCNA1CCNA2CHEK1CDK9
SCHEMBL26871653 0.77 CDK9 (0.58) CDK2CCNA1CCNA2CDK9CCNT1
SCHEMBL26869183 0.75 KDM4E (0.40) CDK2CCNA1CCNA2CHEK1KDM4E
SCHEMBL26871658 0.75 CDK9 (0.65) CDK2CCNA1CCNA2CDK9CCNT1
SCHEMBL26868395 0.73 PIM1 (0.36) CDK2CCNA1CCNA2CHEK1KDM4E
SCHEMBL7846641 0.72 CHEK1 (0.68) CDK2CCNA1CCNA2CHEK1CDK9
SCHEMBL26868450 0.71 CDK2 (0.35) CDK2CCNA1CCNA2CHEK1KDM4E
SCHEMBL4431791 0.70 ALDH1A1 (0.50) CDK2CCNA1CCNA2CHEK1KDM4E
SCHEMBL7885210 0.69 PDE10A (0.43) CDK2CCNA1CCNA2CHEK1KDM4E

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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