SCHEMBL2335323

SCHEMBL2335323

Nc1nc2cccc(CCBr)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ ASH1L Q9NR48 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ COPS5 Q92905 1/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ PI4KA P42356 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CXCR2 P25025 1/20 0.32

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
SCHEMBL25801523 0.83 DRD2 (0.46) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL23422372 0.79 ELANE (0.44) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL394985 0.79 DRD2 (0.42) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL1619718 0.73 ASH1L (0.44) ASH1LSMN1; SMN2ALDH1A1MAPTPIK3CA
SCHEMBL5260809 0.72 ASH1L (0.46) ASH1LSMN1; SMN2ALDH1A1MAPTPIK3CA
SCHEMBL2843090 0.72 HTR1A (0.42) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL74889 0.71 PDPK1 (0.53) ASH1LSMN1; SMN2ALDH1A1MAPTPIK3CA
SCHEMBL25273864 0.70 HSD17B10 (0.43) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL30488147 0.70 HSD17B10 (0.43) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL289210 0.69 SMN1; SMN2 (0.56) ASH1LSMN1; SMN2ALDH1A1MAPTRAB9A

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
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 — — EP disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 — — WO disclosed
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