SCHEMBL2732114

SCHEMBL2732114

CC(CN)C(C)Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.52
▸ FER P16591 5/20 0.43
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL2715587 0.91 SYK (0.54) SYKFERJAK2JAK1ALDH1A1
SCHEMBL2715588 0.91 SYK (0.54) SYKFERJAK2JAK1ALDH1A1
SCHEMBL5027760 0.90 SYK (0.52) SYKFERJAK2JAK1ALDH1A1
SCHEMBL9236196 0.90 SYK (0.52) SYKFERJAK2JAK1ALDH1A1
SCHEMBL2714645 0.88 SYK (0.51) SYKFER
SCHEMBL2716967 0.88 SYK (0.51) SYKFERJAK2JAK1ALDH1A1
SCHEMBL2714651 0.88 SYK (0.51) SYKFER
SCHEMBL2713026 0.85 SYK (0.58) SYK
SCHEMBL2714522 0.85 SYK (0.53) SYKFERJAK2JAK1ALDH1A1
SCHEMBL2713019 0.85 SYK (0.58) SYK

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-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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