SCHEMBL30622959

SCHEMBL30622959

COc1ccc(-c2nn3c(c2-c2ccncc2)CN(C(=O)O)CC3C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LSS P48449 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL26644831 0.88 BTK (0.44) EGFRBTK
SCHEMBL26645515 0.88 HTT (0.40) SRCBRAFKDRALDH1A1BTK
SCHEMBL26645239 0.80 SRC (0.41) SRCBRAFKDRGAAL3MBTL1
SCHEMBL26645494 0.79 GAA (0.35) GAASMO
SCHEMBL25221030 0.79 MAPK14 (0.49) SRCBRAFKDREGFRMAPK13
SCHEMBL25269376 0.79 MAPK14 (0.49) SRCBRAFKDREGFRMAPK13
SCHEMBL26645517 0.77 SRC (0.38) SRCBRAFKDRGAAL3MBTL1
SCHEMBL30623080 0.76 BTK (0.44) SRCEGFRBTKSMOMAPK11
SCHEMBL26645709 0.76 BTK (0.44) SRCEGFRBTKSMOMAPK11
SCHEMBL30623030 0.75 BRAF (0.44) SRCBRAFKDRGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
Send feedback