SCHEMBL26872750

SCHEMBL26872750

Cc1cnn2c(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)cc(C(C)C3CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 10/20 0.44
▸ CDK9 P50750 10/20 0.44
▸ CDK4 P11802 6/20 0.44
▸ CCND1 P24385 6/20 0.44
▸ CDK1 P06493 5/20 0.44
▸ CCNA2 P20248 5/20 0.44
▸ CCNE1 P24864 5/20 0.44
▸ CDK2 P24941 5/20 0.44
▸ CCNA1 P78396 5/20 0.44
▸ CDK3 Q00526 5/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ CDK5R1 Q15078 3/20 0.44
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL26874278 0.90 CDK9 (0.53) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26873820 0.90 CCNT1 (0.41) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26874218 0.90 CDK9 (0.53) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26873823 0.88 CCNT1 (0.40) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL21946105 0.82 CCNT1 (0.54) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26871370 0.82 CDK9 (0.52) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26873980 0.79 CCNT1 (0.61) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26872690 0.77 RAB9A (0.46) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL26874076 0.77 CCNT1 (0.58) CCNT1CDK9CDK4CCND1CDK1
SCHEMBL21877653 0.76 CDK9 (0.48) CCNT1CDK9CDK4CCND1CDK1

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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