SCHEMBL952892

SCHEMBL952892

Cn1cnnc1-c1cccc(NC(=O)c2ccccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
GAA P10253 1/20 0.64
CBLB Q13191 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
CLK1 P49759 1/20 0.61
GRM4 Q14833 4/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDR P35968 4/20 0.54
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
BRD4 O60885 1/20 0.51
CREBBP Q92793 1/20 0.51
MAP3K5 Q99683 1/20 0.49

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
SCHEMBL944106 0.90 LMNA (0.60) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL943582 0.88 LMNA (0.63) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL943901 0.85 LMNA (0.60) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL952626 0.84 MAP3K5 (0.67) LMNAGAACBLBSMN1; SMN2GRM4
SCHEMBL956896 0.84 LMNA (0.65) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL946100 0.84 LMNA (0.56) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL946006 0.83 LMNA (0.56) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL12857536 0.82 SMN1; SMN2 (0.64) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL14672844 0.82 LMNA (0.52) LMNAGAACBLBSMN1; SMN2CLK1
SCHEMBL945106 0.82 LMNA (0.56) LMNAGAACBLBSMN1; SMN2CLK1

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