SCHEMBL14254261

SCHEMBL14254261

O=[N+]([O-])c1cc(-c2ccnc(Nc3cccc(-c4ccccc4)c3)n2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.62
▸ MAPK8 P45983 2/20 0.62
▸ GSK3B P49841 2/20 0.62
▸ CAMKK2 Q96RR4 2/20 0.62
▸ ABL1 P00519 6/20 0.55
▸ PRKCA P17252 6/20 0.55
▸ BCR P11274 5/20 0.55
▸ EGFR P00533 2/20 0.55
▸ SRC P12931 2/20 0.55
▸ PLK1 P53350 3/20 0.54
▸ IKBKB O14920 1/20 0.48
▸ CAMK2D Q13557 2/20 0.48
▸ PRKCD Q05655 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PRKCB P05771 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
SCHEMBL14253963 0.92 PLK1 (0.57) PIK3CGMAPK8GSK3BCAMKK2ABL1
SCHEMBL14254214 0.89 ABL1 (0.55) PIK3CGMAPK8GSK3BCAMKK2ABL1
SCHEMBL14254259 0.88 CAMK2D (0.61) PIK3CGABL1PRKCABCREGFR
SCHEMBL14254272 0.88 ABL1 (0.53) PIK3CGMAPK8GSK3BCAMKK2ABL1
SCHEMBL14254260 0.86 DKK1 (0.59) PIK3CGGSK3BABL1PRKCABCR
SCHEMBL14253939 0.85 PIK3CG (0.56) PIK3CGMAPK8GSK3BCAMKK2ABL1
SCHEMBL14254204 0.85 PIK3CG (0.65) PIK3CGMAPK8GSK3BABL1PRKCA
SCHEMBL14254276 0.82 PIK3CA (0.51) PIK3CGGSK3BABL1PRKCABCR
SCHEMBL14254270 0.82 SRC (0.50) PIK3CGABL1PRKCABCREGFR
SCHEMBL14254254 0.82 PIK3CA (0.68) PIK3CGGSK3BABL1PRKCABCR

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
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 — — US disclosed
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