SCHEMBL8546216

SCHEMBL8546216

Fc1cccc2c(NCCc3cccc(C(F)(F)F)c3)ncnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 14/20 0.55
▸ RPS6KB1 P23443 10/20 0.55
▸ EGFR P00533 2/20 0.47
▸ NTRK1 P04629 1/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ APP P05067 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7505362 0.82 CCNC (0.58) AURKARPS6KB1AURKBLMNAHTT
SCHEMBL12340671 0.81 AURKA (0.44) AURKARPS6KB1EGFRNTRK1AURKB
SCHEMBL8544656 0.80 CCNC (0.55) AURKARPS6KB1EGFRNTRK1AURKB
SCHEMBL8546996 0.80 AURKA (0.48) AURKARPS6KB1EGFRNTRK1AURKB
SCHEMBL9382403 0.80 AURKA (0.51) AURKARPS6KB1EGFRNTRK1AURKB
SCHEMBL8506195 0.78 HTT (0.58) AURKARPS6KB1EGFRAURKBLMNA
SCHEMBL8546280 0.78 GALR3 (0.51) AURKARPS6KB1EGFRMAPK1LMNA
SCHEMBL8543977 0.78 HTT (0.64) AURKARPS6KB1EGFRNTRK1MAPK1
SCHEMBL8490854 0.78 RPS6KB1 (0.54) AURKARPS6KB1EGFRAURKBMAPK1
SCHEMBL8547515 0.78 AURKA (0.46) AURKARPS6KB1AURKBTAAR1

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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