SCHEMBL28420973

SCHEMBL28420973

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC(=O)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.77
▸ ERBB2 P04626 8/20 0.77
▸ KDR P35968 3/20 0.77
▸ AURKA O14965 1/20 0.77
▸ INSR P06213 1/20 0.77
▸ FBP1 P09467 1/20 0.77
▸ PDGFRB P09619 1/20 0.77
▸ FLT4 P35916 1/20 0.77
▸ CLK1 P49759 1/20 0.77
▸ EPHB4 P54760 1/20 0.77
▸ TEK Q02763 1/20 0.77
▸ AURKB Q96GD4 1/20 0.77
▸ HDAC3 O15379 5/20 0.68
▸ HDAC4 P56524 5/20 0.68
▸ HDAC1 Q13547 5/20 0.68
▸ HDAC7 Q8WUI4 5/20 0.68
▸ HDAC2 Q92769 5/20 0.68
▸ HDAC10 Q969S8 5/20 0.68
▸ HDAC11 Q96DB2 5/20 0.68
▸ HDAC8 Q9BY41 5/20 0.68

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
SCHEMBL906971 0.92 KDR (0.64) EGFRERBB2KDRAURKAINSR
SCHEMBL907424 0.90 EGFR (0.61) EGFRERBB2KDRAURKAINSR
SCHEMBL3328655 0.89 EGFR (0.82) EGFRERBB2KDRAURKAINSR
SCHEMBL30968994 0.89 EGFR (0.82) EGFRERBB2KDRAURKAINSR
Hydrochloric Acid SCHEMBL641764 0.89 EGFR (0.80) EGFRERBB2KDRAURKAINSR
SCHEMBL17967512 0.88 EGFR (0.70) EGFRERBB2KDRAURKAINSR
SCHEMBL30505605 0.88 EGFR (1.00) EGFRERBB2KDRAURKAINSR
SCHEMBL2099106 0.88 EGFR (1.00) EGFRERBB2KDRAURKAINSR
Hydrochloric Acid SCHEMBL27887194 0.87 EGFR (0.98) EGFRERBB2KDRAURKAINSR
SCHEMBL30639946 0.87 EGFR (0.77) EGFRERBB2KDRAURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660970-B Quinazoline derivatives 石药集团中奇制药技术(石家庄)有限公司 2020-07-10 — — CN disclosed
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