SCHEMBL8542136

SCHEMBL8542136

CC(C)c1ccc(CCNc2ncnc3c(F)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.48
▸ RPS6KB1 P23443 3/20 0.48
▸ HTT P42858 5/20 0.48
▸ APP P05067 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CNR1 P21554 2/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ TTBK1 Q5TCY1 1/20 0.42
▸ TTBK2 Q6IQ55 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ TRPA1 O75762 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ NR2F2 P24468 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
SCHEMBL8546280 0.86 GALR3 (0.51) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8543977 0.86 HTT (0.64) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8546996 0.83 AURKA (0.48) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8547776 0.83 HTT (0.54) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL7505511 0.82 HTR1A (0.47) AURKAHTTMAPK1EGFRLMNA
SCHEMBL8544656 0.81 CCNC (0.55) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8542072 0.80 AURKA (0.53) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL9382403 0.78 AURKA (0.51) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL9430469 0.78 HTT (0.50) AURKAHTTAPPMAPK1EGFR
SCHEMBL8545027 0.77 ELOVL1 (0.36) AURKARPS6KB1HTTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1052379-C Quinazoline derisatives DOWELANCO (US) 2000-05-17 — — CN claimed
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 — — US claimed
CN-1035825-A Quinazoline derivant LILLY CO ELI (US) 1989-09-27 — — CN claimed
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 — — EP 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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