SCHEMBL1705644

SCHEMBL1705644

Nc1cc(N)c(-c2cnccn2)c(-c2cncc(N3CCNCC3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
KARS1 Q15046 2/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
DHFR P00374 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNA7 P36544 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
SCHEMBL902146 0.72 ADORA2B (0.47) PIM1PIM3PIM2
SCHEMBL902121 0.70 KARS1 (0.50) PIM1PIM3PIM2KARS1
SCHEMBL1704491 0.69 KARS1 (0.70) KARS1
SCHEMBL1704401 0.68 KARS1 (0.52) KARS1
SCHEMBL6352796 0.68 HTR7 (0.71) PIM1PIM3KARS1CHRNB2CHRNA4
SCHEMBL13092433 0.67 PIM1 (0.67) PIM1PIM3PIM2KARS1CHRNB2
SCHEMBL27985764 0.66 HSP90AA1 (0.42) PIM1PIM3PIM2DHFR
SCHEMBL6348853 0.66 CHRNB2 (0.61) PIM1PIM3PIM2CHRNB2CHRNA4
SCHEMBL6351651 0.66 ADRB2 (0.61) PIM1PIM3CHRNB2CHRNA4CHRNA1
SCHEMBL12205345 0.65 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7

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