SCHEMBL30622941

SCHEMBL30622941

C=CC(=O)N1Cc2c(-c3ccncc3)c(-c3ccc4ccccc4c3)nn2C[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ EGFR P00533 7/20 0.38
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ CSNK1D P48730 3/20 0.36
▸ MAPK11 Q15759 3/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ VCP P55072 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KRAS P01116 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
SCHEMBL26645691 1.00 MAPK8 (0.38) MAPK8MAPK9MAPK10EGFRCCNC
SCHEMBL26645626 0.89 MAPK9 (0.40) MAPK8MAPK9MAPK10CCNCCDK8
SCHEMBL26644821 0.86 BRD4 (0.37) EGFRMAPK1BTK
SCHEMBL30622334 0.86 EGFR (0.33) EGFRMAPK1BTK
SCHEMBL30622384 0.86 BRD4 (0.37) EGFRMAPK1BTK
SCHEMBL30622397 0.86 BRD4 (0.37) EGFRMAPK1BTK
SCHEMBL26645769 0.86 EGFR (0.33) EGFRMAPK1BTK
SCHEMBL30623091 0.85 BTK (0.41) EGFRMAPK1BTK
SCHEMBL26645414 0.85 BTK (0.41) EGFRMAPK1BTK
SCHEMBL30622347 0.85 EGFR (0.35) EGFRMAPK1KRAS

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
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