SCHEMBL29564017

SCHEMBL29564017

Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 1.00
EGFR P00533 14/20 0.82
KDR P35968 14/20 0.82
FGFR1 P11362 9/20 0.82
FLT1 P17948 9/20 0.82
FLT4 P35916 9/20 0.82
EPHA2 P29317 3/20 0.82
EPHB4 P54760 3/20 0.82
PDGFRB P09619 2/20 0.82
TEK Q02763 2/20 0.82
BMPR1B O00238 1/20 0.82
PLK4 O00444 1/20 0.82
CIT O14578 1/20 0.82
GAK O14976 1/20 0.82
EPHB6 O15197 1/20 0.82
RIPK2 O43353 1/20 0.82
ROCK2 O75116 1/20 0.82
STK10 O94804 1/20 0.82
MAP4K4 O95819 1/20 0.82
ABL1 P00519 1/20 0.82

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
SCHEMBL10102554 1.00 RET (1.00) RETEGFRKDRFGFR1FLT1
SCHEMBL12604711 0.91 RET (0.84) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL4637084 0.91 EGFR (0.98) RETEGFRKDRFGFR1FLT1
SCHEMBL13458986 0.90 RET (0.82) RETEGFRKDRFGFR1FLT1
SCHEMBL4544070 0.90 EGFR (0.87) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL29352879 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL28224661 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL9044 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL1614458 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL1783178 0.88 EGFR (0.89) RETEGFRKDRFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113616656-B Heterocyclic compounds for the treatment of PI 3K-gamma mediated disorders 无限药品股份有限公司 2023-02-17 CN disclosed
CN-109071647-B Anti-growth differentiation factor 15 antibody and application thereof 诺华股份有限公司 2022-11-22 CN disclosed
CN-115066231-A Synthetic tissue barrier and uses thereof 麻省理工学院 2022-09-16 CN disclosed
CN-108430509-B Antibodies that specifically bind TIM-3 and uses thereof 詹森生物科技公司 2022-09-16 CN disclosed
CN-108697791-B Antibodies that specifically bind to PD-1 and uses thereof 詹森生物科技公司 2022-08-23 CN disclosed
CN-114920840-A Antibody molecules against PD-L1 and uses thereof 诺华股份有限公司 2022-08-19 CN disclosed
CN-114829447-A Brush prodrug and use thereof 麻省理工学院 2022-07-29 CN disclosed
CN-114727974-A HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2022-07-08 CN disclosed
CN-114555610-A Boronic ester prodrugs and uses thereof 麻省理工学院 2022-05-27 CN disclosed
CN-114502590-A ENTPD2 antibodies, combination therapies, and methods of using these antibodies and combination therapies 诺华股份有限公司 2022-05-13 CN disclosed
CN-114478790-A Antibodies that specifically bind to PD-1 and TIM-3 and uses thereof 詹森生物科技公司 2022-05-13 CN disclosed