SCHEMBL11254946

SCHEMBL11254946

COc1cccc(OCC(C)(C)Nc2ncnc3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.59
▸ CLK4 Q9HAZ1 4/20 0.59
▸ ABCG2 Q9UNQ0 3/20 0.59
▸ DYRK3 O43781 1/20 0.59
▸ MAP4K4 O95819 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ LTK P29376 1/20 0.59
▸ GRK5 P34947 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ MAPK8 P45983 1/20 0.59
▸ CDK8 P49336 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ IRAK1 P51617 1/20 0.59
▸ NEK4 P51957 1/20 0.59
▸ LIMK1 P53667 1/20 0.59
▸ ACVR1 Q04771 1/20 0.59
▸ TNK2 Q07912 1/20 0.59
▸ DYRK1A Q13627 1/20 0.59
▸ MAPK14 Q16539 1/20 0.59
▸ LRRK2 Q5S007 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
SCHEMBL11250839 0.87 CYP1A2 (0.58) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL11254853 0.78 LDHA (0.67) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL11248666 0.77 CYP1A2 (0.54) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL11260104 0.76 LMNA (0.63) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL11255466 0.76 LMNA (0.63) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL9017043 0.75 EGFR (1.00) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL4868121 0.74 MAPK1 (0.74) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL19728993 0.71 CYP1A2 (0.69) EGFRCLK4ABCG2MAP4K4LTK
SCHEMBL4865169 0.71 EGFR (0.78) EGFRCLK4ABCG2DYRK3MAP4K4
SCHEMBL11251288 0.70 LMNA (0.60) EGFRCLK4ABCG2DYRK3MAP4K4

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
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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