SCHEMBL25001863

SCHEMBL25001863

COc1cc(N2CCC3(CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2N(C)[S+]([O-])C2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.52
▸ BTK Q06187 1/20 0.48
▸ ALK Q9UM73 6/20 0.46
▸ CDK19 Q9BWU1 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.42
▸ AXL P30530 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41

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
SCHEMBL25001715 0.91 EGFR (0.61) EGFRBTKALK
SCHEMBL25001407 0.86 EGFR (0.54) EGFRBTKALKCDK19MAP4K1
SCHEMBL25821603 0.86 EGFR (0.53) EGFRBTKALKCDK19MAP4K1
SCHEMBL25002853 0.85 EGFR (0.47) EGFRBTKALKCDK19MAP4K1
SCHEMBL30523214 0.80 EGFR (0.54) EGFRBTKALKCDK19MAP4K1
SCHEMBL25001806 0.79 EGFR (0.49) EGFRBTKALKMAP4K1
SCHEMBL23442859 0.79 EGFR (0.61) EGFRBTKALKMAP4K1
SCHEMBL29084096 0.78 EGFR (0.71) EGFRBTKALKCDK19MAP4K1
SCHEMBL25001347 0.77 EGFR (0.63) EGFRBTKALKMAP4K1AXL
SCHEMBL27091454 0.77 EGFR (0.74) EGFRBTKALKCDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
Send feedback