SCHEMBL11246532

SCHEMBL11246532

CCC(COc1cccc(C)c1)Nc1ncnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.51
▸ HTT P42858 3/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ KDR P35968 3/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ GRK5 P34947 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ IRAK1 P51617 1/20 0.46
▸ NEK4 P51957 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ TNK2 Q07912 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL11240075 0.86 EGFR (0.53) EGFRHTTHIF1AKDRCLK4
SCHEMBL11247112 0.80 LDHA (0.58) EGFRHTTKDRCLK4DYRK3
SCHEMBL11261012 0.77 SMN1; SMN2 (0.47) EGFRHTTKDRCLK4DYRK3
SCHEMBL11495349 0.77 EGFR (0.53) EGFRHTTHIF1AKDRCLK4
SCHEMBL11249694 0.76 LDHA (0.64) EGFRHTTHIF1AKDRCLK4
SCHEMBL11255679 0.75 LMNA (0.59) EGFRHTTHIF1AKDRCLK4
SCHEMBL11255375 0.74 LMNA (0.60) EGFRHTTHIF1AKDRCLK4
SCHEMBL11254363 0.74 EGFR (0.52) EGFRHTTHIF1AKDRCLK4
SCHEMBL11254710 0.74 LMNA (0.62) EGFRHTTHIF1AKDRCLK4
SCHEMBL11261278 0.74 EGFR (0.52) EGFRHTTKDRCLK4DYRK3

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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