SCHEMBL3574994

SCHEMBL3574994

COc1cc2c(Nc3ccc(C(=O)O)cc3)ncnc2cc1OCC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.68
▸ AURKB Q96GD4 3/20 0.61
▸ AURKA O14965 1/20 0.61
▸ EGFR P00533 6/20 0.61
▸ RET P07949 2/20 0.59
▸ IRAK4 Q9NWZ3 2/20 0.59
▸ GAK O14976 1/20 0.59
▸ RIPK2 O43353 1/20 0.59
▸ STK10 O94804 1/20 0.59
▸ FLT3 P36888 1/20 0.59
▸ JAK3 P52333 1/20 0.59
▸ AAK1 Q2M2I8 1/20 0.59
▸ Q6ZSR9 Q6ZSR9 1/20 0.59
▸ SLK Q9H2G2 1/20 0.59
▸ RPS6KA6 Q9UK32 1/20 0.59
▸ ALK Q9UM73 1/20 0.59

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
SCHEMBL3528866 0.86 EGFR (0.67) KDREGFRRETIRAK4GAK
SCHEMBL3528731 0.85 KDR (0.68) KDRAURKBAURKAEGFR
SCHEMBL6161811 0.81 HDAC3 (0.62) KDREGFRRETIRAK4GAK
SCHEMBL6163655 0.81 HDAC3 (0.62) KDREGFRRETIRAK4GAK
SCHEMBL5473733 0.81 KDR (0.74) KDRAURKBAURKAEGFRRET
SCHEMBL18158156 0.80 AURKB (0.80) KDRAURKBAURKAEGFRRET
SCHEMBL6162849 0.80 HDAC3 (0.57) KDRAURKBAURKAEGFRRET
Hydrochloric Acid SCHEMBL5477767 0.80 EGFR (0.73) KDRAURKBAURKAEGFRRET
SCHEMBL5569469 0.80 KDR (0.72) KDRAURKBAURKAEGFRRET
SCHEMBL5864703 0.79 EGFR (0.84) KDREGFRRETIRAK4GAK

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-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 — — US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 — — EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 — — WO disclosed
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