SCHEMBL14655475

SCHEMBL14655475

CNC(=O)c1ccnc(-c2cnc3[nH]cc(C(=O)O)c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.43
KDM5B Q9UGL1 2/20 0.43
KDM5A P29375 1/20 0.43
CDK8 P49336 1/20 0.41
SYK P43405 4/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KDM5C P41229 3/20 0.40
KDM2A Q9Y2K7 2/20 0.40
KDM3A Q9Y4C1 2/20 0.40
KDM6B O15054 1/20 0.40
KDM4A O75164 2/20 0.39
JAK3 P52333 5/20 0.39
MAP4K4 O95819 1/20 0.39
P4HA1 P13674 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 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
SCHEMBL3068867 0.87 CDK8 (0.53) KDM4CKDM5BKDM5ACDK8SYK
SCHEMBL14655380 0.81 JAK3 (0.41) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL14655425 0.81 CCR1 (0.47) KDM4CSYKCYP2C9KDM4EKDM5C
SCHEMBL14655366 0.79 MAPK1 (0.47) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL14655643 0.78 SORT1 (0.42) SYKCYP2C9JAK3MAPK1
SCHEMBL14655368 0.77 AXL (0.47) KDM4CKDM5BSYKCYP2C9KDM4E
SCHEMBL14655604 0.76 MAPK1 (0.39) SYKCYP2C9KDM4EJAK3JAK2
SCHEMBL14795215 0.76 MAPK1 (0.49) CDK8SYKCYP2C9JAK3MAPK1
SCHEMBL12301302 0.76 JAK2 (0.47) JAK3JAK2JAK1
SCHEMBL14655300 0.76 SYK (0.59) SYKCYP2C9JAK3ROCK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN disclosed