SCHEMBL26872897

SCHEMBL26872897

CC(C)(c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1CCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.62
▸ CCNT1 O60563 19/20 0.62
▸ CDK4 P11802 8/20 0.62
▸ CCND1 P24385 8/20 0.62
▸ CDK7 P50613 8/20 0.60
▸ CDK2 P24941 6/20 0.60
▸ CDK13 Q14004 2/20 0.60
▸ CDK12 Q9NYV4 2/20 0.60
▸ CCNH P51946 7/20 0.59
▸ CCNE1 P24864 5/20 0.59
▸ CCNA1 P78396 5/20 0.59
▸ CDK3 Q00526 5/20 0.59
▸ CDK1 P06493 4/20 0.59
▸ CCNA2 P20248 4/20 0.59
▸ CDK6 Q00534 3/20 0.59
▸ CDK5 Q00535 2/20 0.59
▸ CDK5R1 Q15078 2/20 0.59
▸ CCNK O75909 1/20 0.59
▸ CDK14 O94921 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL26871658 0.96 CDK9 (0.65) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871857 0.87 CDK9 (0.65) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871653 0.83 CDK9 (0.58) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871786 0.83 CDK9 (0.62) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26872870 0.83 CDK9 (0.62) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26872908 0.81 CDK9 (0.48) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26873582 0.81 CDK9 (0.60) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946405 0.80 CDK9 (0.67) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946488 0.80 CDK9 (0.73) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946493 0.80 CDK9 (0.73) CDK9CCNT1CDK4CCND1CDK7

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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