SCHEMBL16691082

SCHEMBL16691082

N#Cc1cccc(-n2cc(-c3ccnc4c3ccn4CO)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.53
GRM4 Q14833 13/20 0.44
KCNH2 Q12809 2/20 0.42
HTR2B P41595 1/20 0.42
MTNR1A P48039 1/20 0.42
NOTUM Q6P988 1/20 0.42
AXL P30530 1/20 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
SCHEMBL100443 0.83 GRM5 (0.46) GRM5GRM4KCNH2HTR2BMTNR1A
SCHEMBL16692498 0.82 JAK2 (0.36) GRM5GRM4KCNH2HTR2BMTNR1A
SCHEMBL18638181 0.82 GRM5 (0.46) GRM5GRM4KCNH2HTR2BMTNR1A
SCHEMBL101660 0.76 GRM4 (0.70) GRM5GRM4KCNH2HTR2BMTNR1A
SCHEMBL18599488 0.73 GRM5 (0.51) GRM5
SCHEMBL5216403 0.73 GRM5 (0.74) GRM5NOTUMAXL
SCHEMBL12303118 0.72 GRM5 (0.56) GRM5GRM4KCNH2HTR2BMTNR1A
Trifluoroacetic Acid SCHEMBL4088824 0.71 GRM4 (0.61) GRM5GRM4
SCHEMBL16691047 0.70 L3MBTL1 (0.49)
SCHEMBL19902102 0.70 GRM5 (0.70) GRM5NOTUMAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP disclosed
EP-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed