SCHEMBL1704427

SCHEMBL1704427

CCCCOC(=O)N1CCN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.44
P2RY12 Q9H244 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMO Q99835 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
SCHEMBL901704 0.87 CKS1B (0.48) KARS1
SCHEMBL901702 0.85 KARS1 (0.51) KARS1
SCHEMBL901245 0.78 KARS1 (0.52) KARS1
SCHEMBL901708 0.78 KARS1 (0.66) KARS1
SCHEMBL901846 0.76 KARS1 (0.46) KARS1
SCHEMBL902751 0.76 CKS1B (0.47) KARS1
SCHEMBL902855 0.76 KARS1 (0.40) KARS1
SCHEMBL1705250 0.76 ACHE (0.47)
SCHEMBL901860 0.75 KARS1 (0.46) KARS1
SCHEMBL901949 0.75 KARS1 (0.48) KARS1KMT2ASMO

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