SCHEMBL25334338

SCHEMBL25334338

Nc1ncnc2c1c(I)nn2[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.67
JAK3 P52333 8/20 0.67
EGFR P00533 5/20 0.67
CDC7 O00311 1/20 0.61
PLK4 O00444 1/20 0.61
DYRK3 O43781 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
NTRK1 P04629 1/20 0.61
INSR P06213 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
CDK1 P06493 1/20 0.61
RET P07949 1/20 0.61
ROS1 P08922 1/20 0.61
SRC P12931 1/20 0.61
FER P16591 1/20 0.61
PRKACA P17612 1/20 0.61
RPS6KB1 P23443 1/20 0.61
CDK2 P24941 1/20 0.61

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
SCHEMBL28399962 1.00 JAK2 (0.67) JAK2JAK3EGFRCDC7PLK4
SCHEMBL4826137 1.00 JAK2 (0.67) JAK2JAK3EGFRCDC7PLK4
SCHEMBL4827998 0.93 EGFR (0.77) JAK2JAK3EGFRCDC7PLK4
SCHEMBL13860290 0.93 EGFR (0.77) JAK2JAK3EGFRCDC7PLK4
SCHEMBL27586636 0.93 EGFR (0.77) JAK2JAK3EGFRCDC7PLK4
SCHEMBL5802174 0.93 JAK2 (0.67) JAK2JAK3EGFRCDC7PLK4
SCHEMBL3782927 0.90 EGFR (0.63) JAK2JAK3EGFRCDC7PLK4
SCHEMBL17235861 0.87 EGFR (0.88) JAK2JAK3EGFRKDRJAK1
SCHEMBL30082483 0.87 EGFR (0.88) JAK2JAK3EGFRKDRJAK1
SCHEMBL17267791 0.87 EGFR (0.88) JAK2JAK3EGFRKDRJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485281-B FGFR and mutation inhibitor thereof, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-11-21 CN disclosed
WO-2023143514-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2023-08-03 WO disclosed
CN-116514806-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-08-01 CN disclosed
EP-4169922-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-04-26 EP disclosed
CN-115485281-A FGFR and mutation inhibitor thereof, and preparation method and application thereof 上海和誉生物医药科技有限公司 2022-12-16 CN disclosed
CN-113260618-A Dimethoxybenzene compound analogue, method for analyzing compound and standard substance of compound 大鹏药品工业株式会社 2021-08-13 CN disclosed