SCHEMBL22930858

SCHEMBL22930858

Cc1nn(-c2ccnc3[nH]ccc23)cc1C1=CCC=C(C#N)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 3/20 0.35
NUDT1 P36639 4/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
AKT2 P31751 1/20 0.35
ATR Q13535 4/20 0.35
ATRIP Q8WXE1 3/20 0.35
PBK Q96KB5 1/20 0.33
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
ROCK2 O75116 1/20 0.31
PRKCA P17252 1/20 0.31
PRKACA P17612 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL99826 0.77 PRKCI (0.44) PRKCIJAK2JAK1TYK2JAK3
SCHEMBL29540628 0.77 PRKCI (0.44) PRKCIJAK2JAK1TYK2JAK3
SCHEMBL21974724 0.76 PRKCI (0.41) PRKCIJAK2JAK1TYK2JAK3
SCHEMBL29540881 0.74 BRD4 (0.46) PRKCIJAK2JAK3NUDT1AURKB
SCHEMBL99271 0.74 BRD4 (0.46) PRKCIJAK2JAK3NUDT1AURKB
SCHEMBL16692485 0.73 PRKCI (0.48) PRKCIJAK2JAK3NUDT1AURKA
SCHEMBL98273 0.73 AURKB (0.56) PRKCIJAK2JAK3NUDT1AURKA
SCHEMBL29540441 0.73 AURKB (0.56) PRKCIJAK2JAK3NUDT1AURKA
SCHEMBL29541013 0.72 PRKCI (0.47) PRKCIJAK2JAK3NUDT1AURKA
SCHEMBL100065 0.72 PRKCI (0.47) PRKCIJAK2JAK3NUDT1AURKA

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-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed