SCHEMBL1705277

SCHEMBL1705277

Cc1cc(Nc2cccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)nn1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
JAK3 P52333 8/20 0.44
PTK2 Q05397 8/20 0.44
IGF1R P08069 1/20 0.43
NAMPT P43490 1/20 0.41
SYK P43405 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
WNT3A P56704 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL902272 0.85 SYK (0.53) SYKWNT3A
SCHEMBL902875 0.85 IGF1R (0.42) JAK2JAK3PTK2IGF1RNAMPT
SCHEMBL1704583 0.84 ADORA2A (0.48) JAK2JAK3PTK2ALDH1A1GPR119
SCHEMBL1705310 0.83 KARS1 (0.48) JAK2JAK3PTK2IGF1RSYK
SCHEMBL902839 0.81 SYK (0.60) JAK2JAK3PTK2SYK
SCHEMBL1704989 0.81 NAMPT (0.44) NAMPT
SCHEMBL901734 0.79 HTT (0.46) JAK2JAK3PTK2NAMPTHPGD
SCHEMBL29386809 0.74 GPR119 (0.55) NAMPTKDM4EGPR119
SCHEMBL12354143 0.74 GPR119 (0.55) NAMPTKDM4EGPR119
SCHEMBL1704829 0.73 KARS1 (0.43) JAK2JAK3HPGDALDH1A1

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed