SCHEMBL902875

SCHEMBL902875

Cc1cc(Nc2cc3ccccc3c(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)nn1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
JAK2 O60674 8/20 0.42
JAK3 P52333 8/20 0.42
PTK2 Q05397 8/20 0.42
NAMPT P43490 1/20 0.40
ALK Q9UM73 1/20 0.38
WNT3A P56704 1/20 0.37
HPGDS O60760 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ALOX12 P18054 1/20 0.37
SYK P43405 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL1704439 0.90 NPC1 (0.36)
SCHEMBL1705277 0.85 JAK2 (0.44) IGF1RJAK2JAK3PTK2NAMPT
SCHEMBL902923 0.74 NPC1 (0.36) JAK2JAK3PTK2SYK
SCHEMBL902789 0.74 ALDH1A1 (0.42)
SCHEMBL12354143 0.73 GPR119 (0.55) NAMPTHPGDS
SCHEMBL29386809 0.73 GPR119 (0.55) NAMPTHPGDS
SCHEMBL29118675 0.71 GPR119 (0.47)
SCHEMBL902272 0.70 SYK (0.53) WNT3ASYK
SCHEMBL1704583 0.69 ADORA2A (0.48) JAK2JAK3PTK2ALK
SCHEMBL30919531 0.69 STS (0.46) JAK2JAK3PTK2NAMPTHPGDS

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed