SCHEMBL2715583

SCHEMBL2715583

CC(C)N(N)c1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.50
▸ FER P16591 5/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL2732111 0.93 SYK (0.49) SYKFERMEN1NPC1POLB
SCHEMBL2732113 0.93 SYK (0.49) SYKFERMEN1NPC1POLB
SCHEMBL2716964 0.91 SYK (0.49) SYKFERMEN1NPC1POLB
SCHEMBL2716959 0.91 SYK (0.49) SYKFERMEN1NPC1POLB
SCHEMBL10250632 0.84 SYK (0.53) SYKFERMEN1NPC1POLB
SCHEMBL2715588 0.81 SYK (0.54) SYKFERMEN1NPC1POLB
SCHEMBL2715587 0.81 SYK (0.54) SYKFERMEN1NPC1POLB
SCHEMBL5027760 0.80 SYK (0.52) SYKFERJAK2JAK1ALDH1A1
SCHEMBL2732114 0.80 SYK (0.52) SYKFERMEN1NPC1POLB
SCHEMBL9236196 0.80 SYK (0.52) SYKFERJAK2JAK1ALDH1A1

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
Send feedback