SCHEMBL29015739

SCHEMBL29015739

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1N(c1nc(N)c2c(ncn2C)n1)c1cccc2c1N(S(C)(=O)=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.41
▸ MET P08581 2/20 0.41
▸ ALK Q9UM73 11/20 0.39
▸ INSR P06213 8/20 0.39
▸ IGF1R P08069 8/20 0.39
▸ PTK2 Q05397 5/20 0.38
▸ BMPR1B O00238 2/20 0.38
▸ PLK4 O00444 2/20 0.38
▸ GAK O14976 2/20 0.38
▸ ERN1 O75460 2/20 0.38
▸ STK10 O94804 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ LCK P06239 2/20 0.38
▸ FYN P06241 2/20 0.38
▸ FES P07332 2/20 0.38
▸ YES1 P07947 2/20 0.38
▸ HCK P08631 2/20 0.38
▸ ROS1 P08922 2/20 0.38
▸ FER P16591 2/20 0.38
▸ EPHA2 P29317 2/20 0.38

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
SCHEMBL29015729 0.90 EGFR (0.42) EGFRMETALKINSRIGF1R
SCHEMBL29015756 0.87 EGFR (0.44) EGFRMETALKINSRIGF1R
SCHEMBL29015712 0.86 EGFR (0.49) EGFRMETALKINSRIGF1R
SCHEMBL24327563 0.78 ALK (0.58) EGFRMETALKINSRIGF1R
SCHEMBL24327663 0.72 ALK (0.59) EGFRMETALKINSRIGF1R
SCHEMBL29015781 0.70 ALK (0.47) EGFRMETALKINSRIGF1R
SCHEMBL21715308 0.69 ALK (0.60) EGFRMETALKINSRIGF1R
SCHEMBL29015787 0.69 EGFR (0.39) EGFRALKINSRIGF1RPTK2
SCHEMBL24326979 0.69 ALK (0.55) EGFRMETALKINSRIGF1R
SCHEMBL26778373 0.69 ALK (0.69) EGFRMETALKINSRIGF1R

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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