SCHEMBL30459800

SCHEMBL30459800

Cn1cc(-c2ccnc(Nc3cc([N+](=O)[O-])c(F)cc3OC(F)(F)F)n2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.55
MKNK2 Q9HBH9 2/20 0.54
MKNK1 Q9BUB5 1/20 0.54
JAK2 O60674 1/20 0.48
ROS1 P08922 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT4 P35916 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL17683312 1.00 EGFR (0.55) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL14660648 0.92 MKNK1 (0.65) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL29555980 0.92 MKNK1 (0.65) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL32671769 0.92 MKNK1 (0.65) EGFRMKNK2MKNK1JAK2ROS1
Hydrochloric Acid SCHEMBL31218386 0.91 MKNK1 (0.64) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL28382476 0.90 EGFR (0.56) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL30460067 0.89 EGFR (0.54) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL17683074 0.89 EGFR (0.54) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL28626639 0.89 MKNK2 (0.51) EGFRMKNK2MKNK1
SCHEMBL28626645 0.89 EGFR (0.59) EGFRMKNK2MKNK1JAK2ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed