SCHEMBL14254256

SCHEMBL14254256

CCOC(=O)c1cccc(Nc2nccc(-c3ccc(O)c([N+](=O)[O-])c3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.55
▸ ABL1 P00519 5/20 0.53
▸ BCR P11274 5/20 0.53
▸ SRC P12931 2/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PRKCA P17252 4/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45

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
SCHEMBL14254214 0.82 ABL1 (0.55) SYKABL1BCRSRCPRKCA
SCHEMBL14254204 0.82 PIK3CG (0.65) SYKABL1BCRSRCNPC1
SCHEMBL4903303 0.81 ABL1 (0.66) SYKABL1BCRSRCNPC1
SCHEMBL14253963 0.81 PLK1 (0.57) ABL1BCRSRCPRKCAJAK2
SCHEMBL5732836 0.81 SYK (0.61) SYKABL1BCRSRCNPC1
SCHEMBL1927060 0.80 ABL1 (0.80) SYKABL1BCRSRCNPC1
SCHEMBL14254272 0.80 ABL1 (0.53) ABL1BCRSRCPRKCAJAK2
SCHEMBL14254259 0.80 CAMK2D (0.61) ABL1BCRSRCNPC1RAB9A
SCHEMBL14254261 0.80 PIK3CG (0.62) SYKABL1BCRSRCPRKCA
SCHEMBL4904236 0.80 ABL1 (0.58) SYKABL1BCRSRCNPC1

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