SCHEMBL8782817

SCHEMBL8782817

Nc1ccc(-c2cc(=O)c3c(N)c(Br)ccc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 6/20 0.62
▸ EGFR P00533 3/20 0.59
▸ SRC P12931 2/20 0.59
▸ AR P10275 4/20 0.57
▸ CCNC P24863 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ APP P05067 2/20 0.44
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ GABRA4 P48169 2/20 0.43

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
SCHEMBL8782890 0.82 LCK (0.62) LCKEGFRSRCARCCNC
SCHEMBL8782557 0.82 LCK (0.62) LCKEGFRSRCARCCNC
SCHEMBL8783261 0.81 LCK (0.50) LCKEGFRSRCARCCNC
SCHEMBL8783205 0.78 LCK (0.50) LCKEGFRSRCARCCNC
SCHEMBL4993162 0.76 EGFR (0.77) LCKEGFRSRCGABRPGABRD
SCHEMBL1560703 0.75 ESR1 (0.78) LCKEGFRSRCARCCNC
SCHEMBL3859265 0.72 PTPRS (0.78) LCKEGFRARCCNCCDK8
SCHEMBL22197372 0.71 LCK (0.77) LCKEGFRSRCARGABRP
SCHEMBL29711102 0.70 PLA2G2A (0.81) LCKEGFRSRCARGABRP
SCHEMBL17786501 0.70 MAPT (0.66) LCKEGFRSRCARCCNC

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
EP-0556720-B1 5-Aminoflavone derivatives KYOWA HAKKO KOGYO KK (JP) 1997-09-17 — — EP disclosed
US-5539112-A 5-aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-23 — — US disclosed
EP-0556720-A1 5-Aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-25 — — EP disclosed
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