SCHEMBL1704894

SCHEMBL1704894

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc([N+](=O)[O-])cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.50
▸ SYK P43405 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL902920 0.90 SYK (0.50) KARS1SYKALDH1A1LMNAMAPT
SCHEMBL901842 0.88 KARS1 (0.54) KARS1
SCHEMBL901840 0.88 KARS1 (0.54) KARS1
SCHEMBL1705146 0.88 SYK (0.57) KARS1SYKALDH1A1LMNAMAPT
SCHEMBL901333 0.87 KARS1 (0.65) KARS1SYKGPR119TBK1LRRK2
SCHEMBL1704643 0.87 MAPT (0.47) KARS1SYKALDH1A1LMNAMAPT
SCHEMBL1704453 0.86 KARS1 (0.52) KARS1SYKGPR119TBK1LRRK2
SCHEMBL1704732 0.86 KARS1 (0.52) KARS1SYKGPR119TBK1LRRK2
SCHEMBL902995 0.86 KARS1 (0.67) KARS1SYKGPR119TBK1LRRK2
SCHEMBL901508 0.86 KARS1 (0.56) KARS1SYKGPR119TBK1LRRK2

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