SCHEMBL952891

SCHEMBL952891

Cn1cnnc1-c1cccc(-c2cccnc2C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CLK1 P49759 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MAPK1 P28482 1/20 0.37
MAP3K5 Q99683 1/20 0.37
METAP2 P50579 1/20 0.37
SCN9A Q15858 2/20 0.36
MAP4K4 O95819 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ACVR1 Q04771 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
TGFBR1 P36897 1/20 0.35
PTK2 Q05397 1/20 0.35
SYK P43405 1/20 0.35
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL952625 0.84 MAP3K5 (0.43) MAP3K5
SCHEMBL19878461 0.81 MKNK1 (0.47) MKNK1MKNK2MAP4K4ACVR1SYK
SCHEMBL3086682 0.77 MAP3K5 (0.52) LMNAGAACLK1SMN1; SMN2MAP3K5
SCHEMBL31145789 0.76 MAP3K8 (0.49) MKNK1MKNK2MAPK1METAP2MAP4K4
SCHEMBL30792113 0.74 BAZ2B (0.47) CLK1SMN1; SMN2MAPK1MAP3K5SCN9A
SCHEMBL30792141 0.74 TGFBR1 (0.38) MKNK1MKNK2MAPK1SCN9ATGFBR1
SCHEMBL956896 0.72 LMNA (0.65) LMNAGAACLK1SMN1; SMN2MAP3K5
SCHEMBL32686463 0.72 CBL (0.46)
SCHEMBL231896 0.71 MKNK1 (0.56) MKNK1MKNK2HCRTR1HCRTR2
SCHEMBL22368582 0.71 LMNA (0.61) LMNAGAACLK1SMN1; SMN2MAP3K5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP claimed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO claimed