SCHEMBL29661502

SCHEMBL29661502

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nc(N)c(Br)c(Nc2cccc3c2N(S(C)(=O)=O)CC3)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.52
▸ INSR P06213 8/20 0.52
▸ IGF1R P08069 8/20 0.52
▸ EGFR P00533 12/20 0.49
▸ BMPR1B O00238 2/20 0.44
▸ PLK4 O00444 2/20 0.44
▸ GAK O14976 2/20 0.44
▸ ERN1 O75460 2/20 0.44
▸ STK10 O94804 2/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ FYN P06241 2/20 0.44
▸ FES P07332 2/20 0.44
▸ YES1 P07947 2/20 0.44
▸ HCK P08631 2/20 0.44
▸ ROS1 P08922 2/20 0.44
▸ FER P16591 2/20 0.44
▸ EPHA2 P29317 2/20 0.44
▸ LTK P29376 2/20 0.44
▸ FLT3 P36888 2/20 0.44

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
SCHEMBL24327532 1.00 ALK (0.52) ALKINSRIGF1REGFRBMPR1B
SCHEMBL24326981 0.90 EGFR (0.62) ALKINSRIGF1REGFRROS1
SCHEMBL24326973 0.87 ALK (0.69) ALKINSRIGF1REGFRBMPR1B
SCHEMBL26778415 0.87 ALK (0.58) ALKINSRIGF1REGFRMAPK8
SCHEMBL29015731 0.86 ALK (0.53) ALKINSRIGF1REGFRBMPR1B
SCHEMBL30425915 0.86 ALK (0.53) ALKINSRIGF1REGFRBMPR1B
SCHEMBL30725920 0.83 EGFR (0.54) ALKINSRIGF1REGFRROS1
SCHEMBL27048896 0.83 EGFR (0.54) ALKINSRIGF1REGFRROS1
SCHEMBL24327556 0.81 ALK (0.55) ALKINSRIGF1REGFRFGFR1
SCHEMBL26778417 0.81 ALK (0.51) ALKINSRIGF1REGFRTTK

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-4217348-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 — — EP disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — WO disclosed
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