SCHEMBL1907403

SCHEMBL1907403

O=C(NCc1cccnc1)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.50
MAPK14 Q16539 4/20 0.50
PIM3 Q86V86 6/20 0.42
PIM2 Q9P1W9 5/20 0.42
PIM1 P11309 5/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GAA P10253 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
TSHR P16473 1/20 0.38
ROCK2 O75116 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
SCHEMBL4761409 0.85 MAPK11 (0.52) MAPK11MAPK14PIM3PIM2PIM1
SCHEMBL4761470 0.84 MAPK11 (0.52) MAPK11MAPK14PIM3PIM2PIM1
SCHEMBL4761674 0.83 MAPK11 (0.51) MAPK11MAPK14PIM3PIM2PIM1
SCHEMBL4830402 0.83 MAPK11 (0.50) MAPK11MAPK14PIM3PIM2PIM1
SCHEMBL3373577 0.80 MAPK11 (0.59) MAPK11MAPK14KCNH2TLR7
SCHEMBL4762891 0.80 MAPK11 (0.52) MAPK11MAPK14PIM3PIM2PIM1
SCHEMBL4761678 0.80 MAPK14 (0.52) MAPK11MAPK14PIM3PIM2PIM1
SCHEMBL6004032 0.78 MAPK11 (0.48) MAPK11MAPK14PIM1KCNH2TLR7
SCHEMBL4865422 0.77 MAPK14 (0.52) MAPK11MAPK14KCNH2KDM4ESMN1; SMN2
Isopropylamine SCHEMBL4890140 0.76 MAPK11 (0.53) MAPK11MAPK14KCNH2

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-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed