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SCHEMBL3944408

SCHEMBL3944408

Cc1cc(C2NC(=O)NC(CCc3ccccc3Cl)=C2C(=O)OCc2ccccc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ ADORA2B P29275 1/20 0.48

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
SCHEMBL13942611 0.88 MEN1 (0.51) TSHRTP53
SCHEMBL3947142 0.86 MEN1 (0.53) TSHRPKMTP53
SCHEMBL3942576 0.85 PKM (0.52) PKM
SCHEMBL3950570 0.85 TSHR (0.54) TSHRHTTMAPK10
SCHEMBL3943032 0.85 PKM (0.51) TSHRGAABLMPKM
SCHEMBL3950394 0.85 MEN1 (0.56) TSHRPKMHTTTP53
SCHEMBL3943138 0.84 RXFP1 (0.55) —
SCHEMBL3944971 0.84 MEN1 (0.48) TSHRGAABLMHTTTP53
SCHEMBL13942609 0.83 PKM (0.52) TSHRGAABLMPKMTP53
SCHEMBL3943539 0.83 GAA (0.54) TSHRGAABLMPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed