SCHEMBL26645246

SCHEMBL26645246

CC1c2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nn2CCN1C(=O)C=CCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.42
▸ CSNK1D P48730 3/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ JAK3 P52333 3/20 0.39
▸ AURKB Q96GD4 2/20 0.38
▸ INCENP Q9NQS7 2/20 0.38
▸ EGFR P00533 3/20 0.36
▸ CCNK O75909 3/20 0.36
▸ CDK12 Q9NYV4 3/20 0.36
▸ BTK Q06187 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ CIT O14578 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MET P08581 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ NEK1 Q96PY6 2/20 0.34
▸ IKBKB O14920 1/20 0.33

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
SCHEMBL30622344 1.00 MAPK14 (0.42) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL26645464 1.00 MAPK14 (0.42) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL30622306 1.00 MAPK14 (0.42) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL26645356 0.92 BRAF (0.38) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL26644942 0.92 BRAF (0.38) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL30623112 0.92 BRAF (0.38) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL26644847 0.87 BTK (0.35) JAK3EGFRCCNKCDK12BTK
SCHEMBL30622348 0.87 BTK (0.35) JAK3EGFRCCNKCDK12BTK
SCHEMBL30622366 0.87 MAPK14 (0.46) MAPK14CSNK1DMAPK11JAK3AURKB
SCHEMBL26645123 0.87 MAPK14 (0.46) MAPK14CSNK1DMAPK11JAK3AURKB

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
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
Send feedback