SCHEMBL16691047

SCHEMBL16691047

OCn1ccc2c(-c3cnn(Cc4ccccc4)c3)ccnc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
CREBBP Q92793 11/20 0.47
PIK3CD O00329 1/20 0.44
COMT P21964 1/20 0.44
PDK2 Q15119 1/20 0.42
FYN P06241 1/20 0.42
ALK Q9UM73 1/20 0.41
MAPK1 P28482 1/20 0.41
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL16691080 0.87 MET (0.40) L3MBTL1CREBBPPIK3CDCOMT
SCHEMBL99865 0.81 CREBBP (0.43) L3MBTL1CREBBPPIK3CDCOMTFYN
SCHEMBL18638704 0.80 CREBBP (0.44) L3MBTL1CREBBPPIK3CDFYNALK
SCHEMBL4082785 0.79 CREBBP (0.43) L3MBTL1CREBBPPIK3CDCOMTPDK2
SCHEMBL99234 0.73 GRM4 (0.65) L3MBTL1ALKMAPK1DYRK1B
SCHEMBL30009527 0.73 GRM4 (0.65) L3MBTL1ALKMAPK1DYRK1B
SCHEMBL99577 0.71 KLKB1 (0.36) CREBBPPIK3CD
SCHEMBL4088821 0.70 ABL1 (0.42) L3MBTL1CREBBPPDK2
SCHEMBL4784136 0.69 L3MBTL1 (0.60) L3MBTL1CREBBPPIK3CDPDK2ALK
SCHEMBL4092257 0.69 ALK (0.46) ALK

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 7 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-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