SCHEMBL26868391

SCHEMBL26868391

Nc1cc(C(C2CC2)C2CC2)nc2c(C3CC3)cnn12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.35
▸ CDK2 P24941 15/20 0.35
▸ CCNA2 P20248 14/20 0.35
▸ CCNA1 P78396 14/20 0.35
▸ GSK3B P49841 1/20 0.31
▸ PLAT P00750 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26870923 0.83 CCNT1 (0.31) CDK2CCNA2CCNA1PLATALDH1A1
SCHEMBL26867729 0.82 CDK2 (0.44) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL26869091 0.82 KDM4E (0.35) CHEK1CDK2CCNA2CCNA1ALDH1A1
SCHEMBL26868689 0.82 CDK2 (0.35) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL26868864 0.82 CDK2 (0.37) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL14394867 0.79 CHEK1 (0.39) CHEK1CDK2CCNA2CCNA1PLAT
SCHEMBL26869093 0.78 CHEK1 (0.52) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL26867963 0.78 CHEK1 (0.32) CHEK1CDK2CCNA2CCNA1ALDH1A1
SCHEMBL26871688 0.78 CSNK2B (0.46) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL26867958 0.77 TYK2 (0.48) —

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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