SCHEMBL29015781

SCHEMBL29015781

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1N(c1ncc(Cl)c(N)n1)c1cccc2c1NCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.47
▸ INSR P06213 13/20 0.47
▸ IGF1R P08069 13/20 0.47
▸ EGFR P00533 7/20 0.45
▸ MET P08581 3/20 0.45
▸ CHEK1 O14757 2/20 0.43
▸ AURKA O14965 2/20 0.43
▸ NUAK1 O60285 2/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ STK10 O94804 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ FYN P06241 2/20 0.43
▸ FES P07332 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ YES1 P07947 2/20 0.43
▸ LYN P07948 2/20 0.43

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
SCHEMBL29015712 0.84 EGFR (0.49) ALKINSRIGF1REGFRMET
SCHEMBL21715308 0.81 ALK (0.60) ALKINSRIGF1REGFRMET
SCHEMBL29015756 0.76 EGFR (0.44) ALKINSRIGF1REGFRMET
SCHEMBL29661387 0.75 ALK (0.78) ALKINSRIGF1REGFRMET
SCHEMBL26778565 0.75 ALK (0.78) ALKINSRIGF1REGFRMET
SCHEMBL1376839 0.74 ZAP70 (0.47) ALKINSRIGF1REGFRMET
SCHEMBL24327435 0.72 ALK (0.77) ALKINSRIGF1REGFRMET
SCHEMBL30378262 0.72 ALK (0.77) ALKINSRIGF1REGFRMET
SCHEMBL29015729 0.70 EGFR (0.42) ALKINSRIGF1REGFRMET
SCHEMBL29015739 0.70 EGFR (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 — — CN disclosed
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