SCHEMBL14866445

SCHEMBL14866445

COc1cc(N2CCN(C(=O)CC(C)C)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.73
▸ ROS1 P08922 6/20 0.67
▸ GAK O14976 3/20 0.67
▸ INSR P06213 3/20 0.67
▸ IGF1R P08069 3/20 0.67
▸ LTK P29376 3/20 0.67
▸ PTK2 Q05397 3/20 0.67
▸ TNK2 Q07912 3/20 0.67
▸ TNK1 Q13470 3/20 0.67
▸ PTK2B Q14289 3/20 0.67
▸ FES P07332 3/20 0.67
▸ FLT3 P36888 3/20 0.67
▸ BMPR1B O00238 2/20 0.67
▸ PLK4 O00444 2/20 0.67
▸ ERN1 O75460 2/20 0.67
▸ STK10 O94804 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ EGFR P00533 2/20 0.67
▸ LCK P06239 2/20 0.67
▸ FYN P06241 2/20 0.67

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
SCHEMBL14866451 0.92 ALK (0.72) ALKROS1GAKINSRIGF1R
SCHEMBL14866574 0.92 ALK (0.72) ALKROS1GAKINSRIGF1R
SCHEMBL14866288 0.91 ALK (0.71) ALKROS1GAKINSRIGF1R
SCHEMBL14866454 0.91 ALK (0.71) ALKROS1GAKINSRIGF1R
SCHEMBL14866572 0.91 ALK (0.71) ALKROS1GAKINSRIGF1R
SCHEMBL14866294 0.91 ALK (0.71) ALKROS1GAKINSRIGF1R
SCHEMBL3309148 0.90 ALK (0.77) ALKROS1GAKINSRIGF1R
SCHEMBL14866305 0.90 ALK (0.70) ALKROS1GAKINSRIGF1R
SCHEMBL14866302 0.90 ALK (0.70) ALKROS1GAKINSRIGF1R
SCHEMBL14866389 0.90 ALK (0.76) ALKROS1GAKINSRIGF1R

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
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALK 3/4885ROS1 46/4885GAK 1183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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