SCHEMBL26874333

SCHEMBL26874333

CC(c1cc(N[C@H]2CC[C@H](NC(=N)N)C2)n2ncc(Cl)c2n1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.60
▸ CDK9 P50750 18/20 0.60
▸ CDK2 P24941 9/20 0.60
▸ CDK4 P11802 8/20 0.60
▸ CCND1 P24385 8/20 0.60
▸ CCNA1 P78396 7/20 0.60
▸ CDK1 P06493 6/20 0.60
▸ CCNA2 P20248 6/20 0.60
▸ CCNE1 P24864 6/20 0.60
▸ CDK3 Q00526 6/20 0.60
▸ CDK7 P50613 5/20 0.60
▸ CCNH P51946 5/20 0.60
▸ CDK6 Q00534 4/20 0.60
▸ CDK5 Q00535 4/20 0.60
▸ CDK5R1 Q15078 4/20 0.60
▸ CCNC P24863 2/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ GSK3B P49841 1/20 0.35
▸ CCNK O75909 1/20 0.34
▸ CDK14 O94921 1/20 0.34

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
SCHEMBL26873656 0.91 CCNT1 (0.58) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26874076 0.87 CCNT1 (0.58) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26874107 0.85 CDK9 (0.82) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26874256 0.85 CDK9 (0.82) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26874218 0.83 CDK9 (0.53) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26874278 0.83 CDK9 (0.53) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26874317 0.81 CCNT1 (0.60) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26873354 0.78 CCNT1 (0.56) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL21946110 0.77 CCNT1 (0.66) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL21946122 0.75 CDK9 (1.00) CCNT1CDK9CDK2CDK4CCND1

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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