SCHEMBL952626

SCHEMBL952626

O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.67
GRM4 Q14833 4/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CBLB Q13191 3/20 0.49
KDR P35968 6/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
MET P08581 1/20 0.49
MERTK Q12866 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL943988 0.91 MAP3K5 (0.69) MAP3K5CBLBKDRKCNK3KCNK9
SCHEMBL945572 0.88 MAP3K5 (0.68) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL1082758 0.86 MAP3K5 (0.68) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL943454 0.86 MAP3K5 (0.63) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL14482051 0.86 MAP3K5 (0.63) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL947893 0.85 MAP3K5 (0.65) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL945824 0.85 MAP3K5 (0.65) MAP3K5CBLBLMNAGAA
SCHEMBL946216 0.85 MAP3K5 (0.65) MAP3K5CBLBKDRLMNAGAA
SCHEMBL947146 0.85 MAP3K5 (0.62) MAP3K5CBLBKDRLMNAGAA
SCHEMBL1082642 0.85 MAP3K5 (0.60) MAP3K5CBLBKDRKCNK3KCNK9

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