SCHEMBL30459869

SCHEMBL30459869

COc1ccc2c(c1)ncn2-c1ccnc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.56
IRAK4 Q9NWZ3 1/20 0.49
ROCK1 Q13464 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RPS6KA5 O75582 1/20 0.46
KDR P35968 1/20 0.45
MAP3K14 Q99558 1/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPK10 P53779 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LCK P06239 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL17683156 1.00 FGFR1 (0.56) FGFR1IRAK4ROCK1ALDH1A1MAPT
SCHEMBL6039505 0.82 MAP3K14 (0.58) FGFR1IRAK4ROCK1RPS6KA5MAP3K14
SCHEMBL5765710 0.78 FGFR1 (0.54) FGFR1IRAK4ALDH1A1MAPTSMN1; SMN2
SCHEMBL20548967 0.77 ROCK1 (0.72) ROCK1MAPTRPS6KA5MAP3K14
SCHEMBL6039615 0.76 ROCK1 (0.68) ROCK1RPS6KA5LCKMKNK1MKNK2
SCHEMBL4590705 0.75 FGFR1 (0.74) FGFR1ALDH1A1MAPTSMN1; SMN2KDR
SCHEMBL7014066 0.74 LCK (0.76) FGFR1LCKMKNK1MKNK2
SCHEMBL21980701 0.73 GRM2 (0.44) ROCK1
SCHEMBL6039398 0.73 MAP3K14 (0.74) FGFR1IRAK4ROCK1RPS6KA5MAP3K14
SCHEMBL19848358 0.73 FGFR1 (0.76) FGFR1ALDH1A1MAPTSMN1; SMN2KDR

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