SCHEMBL26087740

SCHEMBL26087740

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N)cc2)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.86
INSR P06213 14/20 0.86
IGF1R P08069 14/20 0.86
EGFR P00533 6/20 0.72
MET P08581 3/20 0.70
CHEK1 O14757 2/20 0.70
AURKA O14965 2/20 0.70
NUAK1 O60285 2/20 0.70
JAK2 O60674 2/20 0.70
STK10 O94804 2/20 0.70
PRKD3 O94806 2/20 0.70
CHEK2 O96017 2/20 0.70
ABL1 P00519 2/20 0.70
ERBB2 P04626 2/20 0.70
LCK P06239 2/20 0.70
FYN P06241 2/20 0.70
FES P07332 2/20 0.70
CSF1R P07333 2/20 0.70
YES1 P07947 2/20 0.70
LYN P07948 2/20 0.70

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
SCHEMBL30377906 1.00 ALK (0.86) ALKINSRIGF1REGFRMET
SCHEMBL19312802 0.94 ALK (0.83) ALKINSRIGF1REGFRMET
SCHEMBL26089861 0.92 ALK (1.00) ALKINSRIGF1REGFRMET
SCHEMBL19201792 0.91 ALK (0.82) ALKINSRIGF1REGFRMET
SCHEMBL11900391 0.90 ALK (0.80) ALKINSRIGF1REGFRMET
SCHEMBL31202962 0.90 ALK (0.80) ALKINSRIGF1REGFRMET
SCHEMBL15206735 0.90 ALK (0.80) ALKINSRIGF1REGFRMET
SCHEMBL30965382 0.89 ALK (0.82) ALKINSRIGF1REGFRMET
SCHEMBL26090666 0.89 ALK (0.79) ALKINSRIGF1REGFRMET
SCHEMBL24327435 0.89 ALK (0.77) ALKINSRIGF1REGFRMET

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
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed