SCHEMBL6877979

SCHEMBL6877979

COc1ccc2[nH]c(C(=O)OC(C)(C)C)cc2c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 10/20 0.45
▸ GABRG2 P18507 10/20 0.45
▸ GABRB3 P28472 10/20 0.45
▸ GABRA3 P34903 10/20 0.45
▸ GABRA2 P47869 10/20 0.45
▸ GABRA5 P31644 8/20 0.44
▸ GABRA6 Q16445 7/20 0.44
▸ GABRA4 P48169 5/20 0.44
▸ IDO1 P14902 2/20 0.40
▸ FLT3 P36888 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38

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
SCHEMBL11965472 0.86 GAA (0.47) IDO1FLT3HPGDKDM4EMEN1
SCHEMBL28046328 0.77 HRH4 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6877620 0.75 KMT2A (0.41) FLT3HPGDKDM4EMEN1KMT2A
SCHEMBL25474879 0.72 EIF4A3 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3969314 0.72 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29035004 0.72 FLT3 (0.59) IDO1FLT3KDM4EMEN1KMT2A
SCHEMBL22647484 0.72 CYP1A2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL31513837 0.71 HRH4 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3964313 0.71 HRH4 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5564109 0.71 KMT2A (0.57) FLT3HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 — — EP disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 — — WO disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 — — EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 — — EP disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 — — EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 — — WO disclosed
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