SCHEMBL13192005

SCHEMBL13192005

O=C(Nc1ccc2ncc(-c3csc(Cl)n3)nc2n1)NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
PIK3CA P42336 12/20 0.43
MAPK8 P45983 11/20 0.43
MAPK9 P45984 11/20 0.43
MAPK10 P53779 11/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13191812 0.96 PIK3CA (0.44) MAPK1LMNAMAPTALOX12HTT
SCHEMBL12984573 0.88 JAK2 (0.45) MAPK1LMNAMAPTALOX12HTT
SCHEMBL12979485 0.84 PIK3CA (0.44) MAPK1JAK2JAK1JAK3PIK3CA
SCHEMBL12979504 0.83 JAK2 (0.46) MAPK1LMNAJAK2JAK1JAK3
SCHEMBL12979104 0.83 MAPK1 (0.46) MAPK1LMNAJAK2JAK1JAK3
SCHEMBL12979078 0.81 JAK2 (0.44) MAPK1LMNAMAPTALOX12HTT
SCHEMBL12979785 0.81 JAK2 (0.46) MAPK1LMNAMAPTALOX12HTT
SCHEMBL5441526 0.81 JAK2 (0.55) MAPK1LMNAMAPTALOX12HTT
SCHEMBL12979017 0.80 PIK3CA (0.44) MAPK1LMNAJAK2JAK1JAK3
SCHEMBL5449743 0.80 MAPK1 (0.61) MAPK1LMNAJAK2JAK1JAK3

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
WO-2012136694-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ÆTERNA ZENTARIS GMBH (DE) 2012-10-11 WO disclosed