SCHEMBL18936841

SCHEMBL18936841

c1ccc(Nc2cccnc2-c2cncs2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
CD38 P28907 2/20 0.50
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 5/20 0.40
PIM1 P11309 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPK1 P28482 1/20 0.39
MECP2 P51608 1/20 0.38
KCNN1 Q92952 1/20 0.38

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
SCHEMBL17102743 0.73 MEN1 (0.66) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL16205256 0.72 CD38 (0.60) MEN1KMT2ACD38NPC1RAB9A
SCHEMBL20455525 0.72 CDK4 (0.49) MEN1KMT2ACD38NPC1RAB9A
SCHEMBL29386286 0.72 CDK4 (0.49) MEN1KMT2ACD38NPC1RAB9A
SCHEMBL3279571 0.72 MEN1 (1.00) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL24568619 0.70 CYP2A6 (0.51) CD38NPC1KDRPIM1
SCHEMBL30482452 0.70 PIM1 (0.45) CD38PIM1
SCHEMBL27164862 0.70 PIM1 (0.45) CD38PIM1
SCHEMBL2513836 0.68 PIM1 (0.58) CD38NPC1RAB9ATP53SMN1; SMN2
SCHEMBL24567811 0.67 TBXAS1 (0.41) CD38RAB9ASMN1; SMN2PIM1LMNA

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-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 EP disclosed