SCHEMBL29243302

SCHEMBL29243302

O=C(NC1CCNCC1)c1nn(C[PH](=O)O)cc1NC(=O)c1c(Cl)cccc1Cl.[NaH].[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.54
CCNT1 O60563 2/20 0.54
CDK9 P50750 2/20 0.54
CDK5R1 Q15078 2/20 0.54
CDK14 O94921 12/20 0.54
CCNY Q8ND76 12/20 0.54
CDK2 P24941 6/20 0.54
CCNA2 P20248 4/20 0.54
CCNA1 P78396 3/20 0.54
CDK4 P11802 2/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CASK O14936 1/20 0.54
CDKL5 O76039 1/20 0.54
CCNB2 O95067 1/20 0.54
MAK P20794 1/20 0.54
CDK11B P21127 1/20 0.54
CCND1 P24385 1/20 0.54
CCNE1 P24864 1/20 0.54
CCND3 P30281 1/20 0.54

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
SCHEMBL29108698 0.86 CDK5 (0.55) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL22594270 0.86 CDK14 (0.59) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL2425448 0.84 CDK5 (0.55) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL22582171 0.84 CDK5 (0.54) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL25992121 0.84 CDK5 (0.54) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL22594259 0.82 CDK5 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL22594266 0.81 CDK14 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL30915451 0.81 CDK5 (0.60) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL22022383 0.80 CDK5 (0.59) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL22594271 0.80 CDK14 (0.50) CDK5CCNT1CDK9CDK5R1CDK14

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
CN-114008058-B Prodrugs of CDK inhibitors for the treatment of cancer 润佳(苏州)医药科技有限公司 2024-07-05 CN disclosed