SCHEMBL13380320

SCHEMBL13380320

CCn1c(C)c(-c2ccnc(S)n2)n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
MAPK14 Q16539 4/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HKDC1 Q2TB90 1/20 0.35
GRM5 P41594 3/20 0.34
KCNH2 Q12809 1/20 0.34
FAAH O00519 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.33
MAOB P27338 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA2D1 P54289 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13376804 0.84 CCNA2 (0.42) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL13376667 0.83 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL13380339 0.82 TSHR (0.35) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL13376803 0.73 CCNA2 (0.41) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL13376656 0.72 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL13376732 0.66 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL13380385 0.66 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL14969244 0.64 NOTUM (0.46) POLBSMN1; SMN2LMNANOTUM
SCHEMBL1483873 0.62 SMN1; SMN2 (0.41) POLBSMN1; SMN2HKDC1NPC1CYP2C19
SCHEMBL13376802 0.61 ALDH1A1 (0.43) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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
US-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed