SCHEMBL2186147

SCHEMBL2186147

Cc1ccc(C#N)cc1-n1cc(-c2ccnc3c2ccn3C(I)OCC[Si](C)(C)C)cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
GRM4 Q14833 3/20 0.31
MAPK8 P45983 1/20 0.30
CAMKK2 Q96RR4 1/20 0.30

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
SCHEMBL100009 0.85 CAMKK2 (0.33) JAK2JAK1TYK2JAK3AAK1
SCHEMBL16692498 0.79 JAK2 (0.36) JAK2JAK1TYK2JAK3AAK1
SCHEMBL18638759 0.76 JAK2 (0.32) JAK2JAK1TYK2JAK3AAK1
SCHEMBL100443 0.70 GRM5 (0.46) GRM4
SCHEMBL100420 0.70 GRM4 (0.55) JAK2JAK1TYK2JAK3GRM4
SCHEMBL12302796 0.67 GRM4 (0.38) JAK2GRM4
SCHEMBL21938259 0.65 BRD4 (0.47)
Trifluoroacetic Acid SCHEMBL4093301 0.64 GRM4 (0.49) JAK2JAK1TYK2JAK3GRM4
SCHEMBL100680 0.63 GRM4 (0.55) JAK2JAK1TYK2JAK3GRM4
SCHEMBL29540842 0.63 GRM4 (0.55) JAK2JAK1TYK2JAK3GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 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-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed