SCHEMBL21374887

SCHEMBL21374887

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3OC)ncc2N2CCOCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
PLK4 O00444 1/20 0.61
GAK O14976 1/20 0.61
NUAK1 O60285 1/20 0.61
JAK2 O60674 1/20 0.61
FLT3 P36888 1/20 0.61
BLK P51451 1/20 0.61
BMX P51813 1/20 0.61
JAK3 P52333 1/20 0.61
CTSC P53634 1/20 0.61
PTK2 Q05397 1/20 0.61
BTK Q06187 1/20 0.61
ITK Q08881 1/20 0.61
ERBB4 Q15303 1/20 0.61
DCLK3 Q9C098 1/20 0.61
NUAK2 Q9H093 1/20 0.61
EML4 Q9HC35 1/20 0.61
EIF2AK4 Q9P2K8 1/20 0.61
ALK Q9UM73 1/20 0.61

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
SCHEMBL10127890 0.85 EGFR (0.80) EGFRPLK4GAKNUAK1JAK2
SCHEMBL4164770 0.83 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945445 0.83 EGFR (0.86) EGFRPLK4GAKNUAK1JAK2
SCHEMBL21375546 0.82 EGFR (0.58) EGFRPLK4GAKNUAK1JAK2
SCHEMBL2723295 0.81 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945454 0.81 EGFR (0.87) EGFRPLK4GAKNUAK1JAK2
SCHEMBL2730287 0.81 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL10128079 0.80 EGFR (0.73) EGFRPLK4GAKNUAK1JAK2
SCHEMBL17059712 0.80 EGFR (1.00) EGFR
SCHEMBL21375235 0.79 EGFR (0.80) EGFRPLK4GAKNUAK1JAK2

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
WO-2019177374-A1 2, 4, 5-SUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER OR INFLAMMATORY DISEASE 포로노이바이오 주식회사 2019-09-19 WO disclosed