SCHEMBL30459608

SCHEMBL30459608

Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 17/20 0.69
CDK4 P11802 15/20 0.69
CCND3 P30281 13/20 0.69
CDK1 P06493 11/20 0.69
CCNA2 P20248 9/20 0.69
CDK2 P24941 8/20 0.66
CDK7 P50613 3/20 0.66
CDK9 P50750 3/20 0.66
PIM1 P11309 5/20 0.65
CCNE2 O96020 5/20 0.65
CCND1 P24385 4/20 0.65
CCNE1 P24864 2/20 0.65
EGFR P00533 2/20 0.65
CIT O14578 1/20 0.65
GAK O14976 1/20 0.65
DYRK3 O43781 1/20 0.65
CCNT1 O60563 1/20 0.65
STK16 O75716 1/20 0.65
CCNK O75909 1/20 0.65
STK10 O94804 1/20 0.65

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
SCHEMBL17488831 1.00 CDK6 (0.69) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL30459609 1.00 CDK6 (0.69) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL30459527 0.93 CDK4 (0.62) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17489268 0.93 CDK4 (0.62) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17488648 0.93 CDK4 (0.68) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17489251 0.91 CDK4 (0.60) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17488826 0.91 CDK4 (0.67) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17485303 0.91 CDK4 (0.68) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17488855 0.91 CDK4 (0.70) CDK6CDK4CCND3CDK1CCNA2
SCHEMBL17488811 0.91 CDK4 (0.70) CDK6CDK4CCND3CDK1CCNA2

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