SCHEMBL8541235

SCHEMBL8541235

FC(F)(F)c1ccc(CCNc2ncnc3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.72
▸ EGFR P00533 5/20 0.72
▸ LMNA P02545 4/20 0.72
▸ APP P05067 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ AURKA O14965 1/20 0.60
▸ GALR3 O60755 2/20 0.52
▸ NR2F2 P24468 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LDHA P00338 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ S1PR2 O95136 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ CCNC P24863 2/20 0.50
▸ CDK8 P49336 2/20 0.50
▸ CDKN1A P38936 1/20 0.50

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
SCHEMBL15684945 0.93 HTT (0.63) HTTEGFRLMNAAPPMAPK1
SCHEMBL9387280 0.85 HTT (0.66) HTTEGFRLMNAAPPMAPK1
SCHEMBL15684901 0.85 EGFR (0.53) HTTEGFRLMNAAPPMAPK1
SCHEMBL15684803 0.85 HTT (0.56) HTTEGFRLMNAAPPMAPK1
SCHEMBL8497590 0.84 APP (1.00) HTTEGFRLMNAAPPMAPK1
SCHEMBL9921377 0.84 HTT (0.74) HTTEGFRLMNAAPPMAPK1
SCHEMBL17803673 0.83 HTT (0.81) HTTEGFRLMNAAPPMAPK1
SCHEMBL23202914 0.82 HTT (0.78) HTTEGFRLMNAAPPMAPK1
SCHEMBL30827884 0.82 HTT (0.78) HTTEGFRLMNAAPPMAPK1
SCHEMBL8543175 0.82 HTT (0.83) HTTEGFRLMNAAPPMAPK1

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
Send feedback