SCHEMBL26874278

SCHEMBL26874278

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 8/20 0.53
▸ CCNT1 O60563 7/20 0.53
▸ CDK1 P06493 5/20 0.53
▸ CDK4 P11802 5/20 0.53
▸ CCNA2 P20248 5/20 0.53
▸ CCND1 P24385 5/20 0.53
▸ CCNE1 P24864 5/20 0.53
▸ CDK2 P24941 5/20 0.53
▸ CCNA1 P78396 5/20 0.53
▸ CDK3 Q00526 5/20 0.53
▸ CDK6 Q00534 3/20 0.53
▸ CDK5 Q00535 3/20 0.53
▸ CDK5R1 Q15078 3/20 0.53
▸ CDK7 P50613 2/20 0.53
▸ CCNH P51946 2/20 0.53
▸ CCNC P24863 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ BTK Q06187 2/20 0.39
▸ JAK1 P23458 3/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL26874218 1.00 CDK9 (0.53) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26871370 0.92 CDK9 (0.52) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26872750 0.90 CCNT1 (0.44) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26873820 0.90 CCNT1 (0.41) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26873823 0.87 CCNT1 (0.40) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26874076 0.87 CCNT1 (0.58) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL21877653 0.87 CDK9 (0.48) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26873656 0.83 CCNT1 (0.58) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL21946110 0.83 CCNT1 (0.66) CDK9CCNT1CDK1CDK4CCNA2
SCHEMBL26874333 0.83 CCNT1 (0.60) CDK9CCNT1CDK1CDK4CCNA2

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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