SCHEMBL26868864

SCHEMBL26868864

CC(c1cc(N)n2ncc(C3CC3)c2n1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNA2 P20248 14/20 0.35
▸ CCNA1 P78396 14/20 0.35
▸ CHEK1 O14757 13/20 0.35
▸ CCNT1 O60563 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK7 P50613 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ CDK3 Q00526 2/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ PDE8B O95263 1/20 0.32

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
SCHEMBL26868689 0.97 CDK2 (0.35) CDK2GSK3BCCNA2CCNA1CHEK1
SCHEMBL26868788 0.85 CCNA2 (0.34) CDK2CCNA2CCNA1CHEK1CCNT1
SCHEMBL26868790 0.85 CCNA2 (0.34) CDK2CCNA2CCNA1CHEK1CCNT1
SCHEMBL26868792 0.85 CCNA2 (0.34) CDK2CCNA2CCNA1CHEK1CCNT1
SCHEMBL26868863 0.84 CDK2 (0.37) CDK2GSK3BCCNA2CCNA1CHEK1
SCHEMBL26868854 0.83 CDK2 (0.39) CDK2GSK3BCCNA2CCNA1CHEK1
SCHEMBL26868494 0.82 CDK2 (0.34) CDK2CCNA2CCNA1CHEK1CCNT1
SCHEMBL26868587 0.82 CDK2 (0.34) CDK2CCNA2CCNA1CHEK1CCNT1
SCHEMBL26868500 0.82 CDK2 (0.34) CDK2CCNA2CCNA1CHEK1CCNT1
SCHEMBL26868391 0.82 CHEK1 (0.35) CDK2GSK3BCCNA2CCNA1CHEK1

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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