SCHEMBL8546996

SCHEMBL8546996

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.48
▸ RPS6KB1 P23443 6/20 0.48
▸ HTT P42858 4/20 0.46
▸ APP P05067 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ AURKB Q96GD4 1/20 0.43
▸ NTRK1 P04629 2/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ TTBK1 Q5TCY1 2/20 0.39
▸ TTBK2 Q6IQ55 2/20 0.39
▸ PDPK1 O15530 1/20 0.39

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 0.84 HTT (0.64) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8542136 0.83 AURKA (0.48) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8547776 0.83 HTT (0.54) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL7501348 0.82 CCNC (0.47) AURKARPS6KB1HTTMAPK1EGFR
SCHEMBL9382403 0.81 AURKA (0.51) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8546216 0.80 AURKA (0.55) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8542072 0.80 AURKA (0.53) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8544656 0.79 CCNC (0.55) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL9303626 0.78 PLAAT3 (0.48) AURKARPS6KB1HTTAPPMAPK1

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 3 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
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
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