SCHEMBL30459749

SCHEMBL30459749

CCOc1ccc2c(cnn2-c2ccnc(Nc3cc(N)c(N(C)CCN4CCCC4)cc3OC)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.43
KDR P35968 2/20 0.41
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IGF1R P08069 2/20 0.34
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL19210259 1.00 EGFR (0.43) EGFRKDRABL1BCRKDM4E
SCHEMBL17683367 0.90 KDR (0.44) EGFRKDR
SCHEMBL17683161 0.86 EGFR (0.61) EGFR
SCHEMBL17683294 0.85 MAPK8 (0.49) EGFR
SCHEMBL17683146 0.84 KDR (0.46) EGFRKDR
SCHEMBL30459799 0.84 KDR (0.46) EGFRKDR
SCHEMBL30459808 0.82 EGFR (0.46) EGFRKDRABL1BCR
SCHEMBL17683306 0.81 EGFR (0.42) EGFRKDRIGF1R
SCHEMBL17682933 0.81 EGFR (0.63) EGFRKDRINSRALK
SCHEMBL17683023 0.80 EGFR (0.60) EGFR

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