SCHEMBL26871653

SCHEMBL26871653

CC(C)(c1cc(NC2CCCC2)n2nccc2n1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.58
▸ CCNT1 O60563 19/20 0.58
▸ CDK4 P11802 6/20 0.49
▸ CCND1 P24385 6/20 0.49
▸ CDK7 P50613 5/20 0.49
▸ CCNH P51946 4/20 0.49
▸ CDK2 P24941 4/20 0.45
▸ CCNE1 P24864 3/20 0.45
▸ CCNA1 P78396 3/20 0.45
▸ CDK3 Q00526 3/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ CDK5R1 Q15078 2/20 0.45
▸ CDK13 Q14004 2/20 0.43
▸ CDK12 Q9NYV4 2/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CDK14 O94921 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CCNC P24863 1/20 0.43

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
SCHEMBL26871851 0.90 CDK9 (0.58) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26872867 0.85 CDK9 (0.55) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871658 0.85 CDK9 (0.65) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26872897 0.83 CDK9 (0.62) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871783 0.83 CDK9 (0.56) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL24418850 0.81 CDK9 (0.56) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21877739 0.79 CDK9 (0.66) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL24174235 0.79 CDK9 (0.62) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26872817 0.78 RAB9A (0.46) CDK9CCNT1CDK2
SCHEMBL26872849 0.77 CSNK2B (0.45) CDK9CCNT1CDK2

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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