SCHEMBL26871818

SCHEMBL26871818

CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C)C3CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.60
▸ CCNT1 O60563 18/20 0.60
▸ CDK4 P11802 8/20 0.60
▸ CCND1 P24385 8/20 0.60
▸ CDK7 P50613 8/20 0.60
▸ CDK2 P24941 7/20 0.60
▸ CCNH P51946 7/20 0.60
▸ CCNE1 P24864 5/20 0.60
▸ CCNA1 P78396 5/20 0.60
▸ CDK3 Q00526 5/20 0.60
▸ CDK1 P06493 4/20 0.60
▸ CCNA2 P20248 4/20 0.60
▸ CDK6 Q00534 4/20 0.60
▸ CDK5 Q00535 3/20 0.60
▸ CDK5R1 Q15078 3/20 0.60
▸ CCNC P24863 2/20 0.51
▸ CDK13 Q14004 2/20 0.51
▸ CDK12 Q9NYV4 2/20 0.51
▸ CCNK O75909 1/20 0.51
▸ CDK14 O94921 1/20 0.51

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
SCHEMBL26871754 0.91 CDK9 (0.61) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871814 0.86 CDK9 (0.44) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26874256 0.85 CDK9 (0.82) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26874107 0.85 CDK9 (0.82) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26873826 0.83 CDK9 (0.59) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871419 0.78 CDK9 (0.82) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871422 0.78 CDK9 (0.82) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26871420 0.78 CDK9 (0.82) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL26872077 0.78 CDK9 (0.63) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL18122678 0.77 CDK9 (0.53) 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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