SCHEMBL26871374

SCHEMBL26871374

c1cc2nc(CC3CC3)cc(NC3CCCC3)n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.57
▸ CCNT1 O60563 18/20 0.57
▸ CDK7 P50613 4/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CDK13 Q14004 2/20 0.53
▸ CDK12 Q9NYV4 2/20 0.53
▸ CDK4 P11802 4/20 0.52
▸ CCND1 P24385 4/20 0.52
▸ CCNE1 P24864 2/20 0.52
▸ CCNA1 P78396 2/20 0.52
▸ CDK3 Q00526 2/20 0.52
▸ CCNH P51946 3/20 0.51
▸ MAPKAPK2 P49137 1/20 0.48
▸ CCNK O75909 1/20 0.44
▸ CDK14 O94921 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCNC P24863 1/20 0.44
▸ CDK6 Q00534 1/20 0.44

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
SCHEMBL26874020 0.97 CDK9 (0.60) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL24174235 0.86 CDK9 (0.62) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL26871376 0.84 CDK9 (0.74) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL23959016 0.84 CDK9 (0.73) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL26869434 0.83 CDK9 (0.47) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL26873395 0.83 CDK9 (0.72) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL19527036 0.80 CDK9 (0.65) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL24174230 0.79 CDK9 (0.62) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL23959426 0.79 CDK9 (0.62) CDK9CCNT1CDK7CDK2CDK13
SCHEMBL21877661 0.79 CDK9 (0.62) CDK9CCNT1CDK7CDK2CDK13

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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