SCHEMBL8544656

SCHEMBL8544656

Fc1cccc2c(NCCc3ccc4ccccc4c3)ncnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ HTT P42858 5/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ APP P05067 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ AURKA O14965 8/20 0.46
▸ RPS6KB1 P23443 6/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL8547776 0.83 HTT (0.54) CCNCCDK8HTTMAPK1APP
SCHEMBL8542072 0.82 AURKA (0.53) CCNCCDK8HTTMAPK1APP
SCHEMBL7508376 0.82 KDM4E (0.52) CCNCCDK8HTTMAPK1EGFR
SCHEMBL8543977 0.81 HTT (0.64) HTTMAPK1APPEGFRLMNA
SCHEMBL8546280 0.81 GALR3 (0.51) HTTMAPK1APPEGFRLMNA
SCHEMBL8543033 0.81 CCNC (0.71) CCNCCDK8HTTMAPK1APP
SCHEMBL8542136 0.81 AURKA (0.48) HTTMAPK1APPEGFRLMNA
SCHEMBL8546216 0.80 AURKA (0.55) HTTMAPK1APPEGFRLMNA
SCHEMBL8546996 0.79 AURKA (0.48) HTTMAPK1APPEGFRLMNA
SCHEMBL9382403 0.78 AURKA (0.51) HTTMAPK1APPEGFRLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 — — US claimed
CN-1052379-C Quinazoline derisatives DOWELANCO (US) 2000-05-17 — — CN disclosed
EP-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 — — EP disclosed
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 — — US disclosed
CN-1035825-A Quinazoline derivant LILLY CO ELI (US) 1989-09-27 — — CN disclosed
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 — — EP disclosed
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