SCHEMBL30459468

SCHEMBL30459468

Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCNCC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.84
CDK6 Q00534 16/20 0.84
CDK1 P06493 12/20 0.84
CDK2 P24941 10/20 0.84
CCND3 P30281 6/20 0.84
CCNA2 P20248 5/20 0.84
CDK7 P50613 4/20 0.84
CDK9 P50750 4/20 0.84
CCNB1 P14635 4/20 0.84
CCNE1 P24864 4/20 0.84
CCND1 P24385 3/20 0.84
DYRK2 Q92630 2/20 0.84
CIT O14578 1/20 0.84
GAK O14976 1/20 0.84
DYRK3 O43781 1/20 0.84
CCNT1 O60563 1/20 0.84
STK16 O75716 1/20 0.84
CCNK O75909 1/20 0.84
STK10 O94804 1/20 0.84
PRKD3 O94806 1/20 0.84

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
SCHEMBL30460094 1.00 CDK4 (0.84) CDK4CDK6CDK1CDK2CCND3
SCHEMBL2490067 1.00 CDK4 (0.84) CDK4CDK6CDK1CDK2CCND3
Trifluoroacetic Acid SCHEMBL29669642 0.94 CDK4 (0.75) CDK4CDK6CDK1CDK2CCND3
Trifluoroacetic Acid SCHEMBL19475288 0.94 CDK4 (0.75) CDK4CDK6CDK1CDK2CCND3
SCHEMBL17488760 0.93 CDK4 (0.88) CDK4CDK6CDK1CDK2CCND3
SCHEMBL21658739 0.92 CDK4 (0.87) CDK4CDK6CDK1CDK2CCND3
SCHEMBL15252470 0.91 CDK6 (0.88) CDK4CDK6CDK1CDK2CCND3
SCHEMBL21658737 0.91 CDK4 (0.85) CDK4CDK6CDK1CDK2CCND3
SCHEMBL2487954 0.91 CDK6 (0.88) CDK4CDK6CDK1CDK2CCND3
Abemaciclib SCHEMBL29356350 0.91 CDK4 (1.00) CDK4CDK6CDK1CDK2CCND3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446324-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2024-10-16 EP disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed