SCHEMBL19928477

SCHEMBL19928477

COc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
NUAK1 O60285 2/20 0.60
NUAK2 Q9H093 2/20 0.60
PLK4 O00444 1/20 0.59
GAK O14976 1/20 0.59
JAK2 O60674 1/20 0.59
FLT3 P36888 1/20 0.59
BLK P51451 1/20 0.59
BMX P51813 1/20 0.59
JAK3 P52333 1/20 0.59
CTSC P53634 1/20 0.59
PTK2 Q05397 1/20 0.59
BTK Q06187 1/20 0.59
ITK Q08881 1/20 0.59
ERBB4 Q15303 1/20 0.59
DCLK3 Q9C098 1/20 0.59
EML4 Q9HC35 1/20 0.59
EIF2AK4 Q9P2K8 1/20 0.59
ALK Q9UM73 1/20 0.59

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
SCHEMBL10127973 0.92 EGFR (0.72) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL19928475 0.88 EGFR (0.77) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128148 0.85 EGFR (0.69) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128071 0.83 EGFR (0.68) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128043 0.81 EGFR (0.58) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128143 0.81 EGFR (0.68) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128048 0.80 EGFR (0.59) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10127950 0.80 EGFR (0.78) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128034 0.79 EGFR (0.66) EGFRNUAK1NUAK2PLK4GAK
SCHEMBL10128096 0.78 EGFR (0.54) EGFRNUAK1NUAK2PLK4GAK

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-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed