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
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