SCHEMBL30459789

SCHEMBL30459789

COc1ccc2c(c1)ncn2-c1ccnc(Nc2cc([N+](=O)[O-])c(F)cc2OC)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDR P35968 1/20 0.40
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
FGFR1 P11362 3/20 0.38
EGFR P00533 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL17683128 1.00 LCK (0.40) LCKIRAK4KDRMKNK1MKNK2
SCHEMBL17683125 0.85 EGFR (0.48) MKNK1MKNK2EGFR
SCHEMBL30459745 0.85 EGFR (0.48) MKNK1MKNK2EGFR
SCHEMBL30459859 0.83 KDR (0.57) KDRMKNK1MKNK2EGFRMEN1
SCHEMBL17683144 0.83 KDR (0.57) KDRMKNK1MKNK2EGFRMEN1
SCHEMBL17683302 0.81 KDR (0.41) KDRMKNK1MKNK2EGFRMEN1
SCHEMBL18586191 0.80 KDR (0.43) KDRMKNK1MKNK2EGFR
SCHEMBL30930115 0.80 KDR (0.43) KDRMKNK1MKNK2EGFR
SCHEMBL35210303 0.79 CDC7 (0.44) KDREGFRMAPT
SCHEMBL19089534 0.79 CDC7 (0.44) KDREGFRMAPT

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