SCHEMBL10239795

SCHEMBL10239795

C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1cncc(-c2cnc3ccccn23)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.40
FLT3 P36888 1/20 0.40
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
CDK2 P24941 2/20 0.40
MAPK10 P53779 2/20 0.40
JUN P05412 1/20 0.40
USP30 Q70CQ3 2/20 0.39
IGF1R P08069 2/20 0.38
DYRK1A Q13627 1/20 0.37

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
SCHEMBL376063 0.85 EIF2AK4 (0.40) FLT3USP30
SCHEMBL10239065 0.85 MAPK8 (0.48) IRAK4FLT3MAPK8MAPK9CDK2
SCHEMBL376257 0.84 IRAK4 (0.45) IRAK4FLT3MAPK8MAPK9CDK2
SCHEMBL376256 0.84 IRAK4 (0.45) IRAK4FLT3MAPK8MAPK9CDK2
SCHEMBL376678 0.84 IRAK4 (0.45) IRAK4FLT3MAPK8MAPK9CDK2
SCHEMBL24232003 0.82 IRAK4 (0.50) IRAK4FLT3MAPK8MAPK9CDK2
SCHEMBL376305 0.78 IRAK4 (0.45) IRAK4FLT3MAPK8MAPK9CDK2
SCHEMBL376467 0.76 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9MAPK10
SCHEMBL376466 0.76 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9MAPK10
SCHEMBL376148 0.76 USP30 (0.44) USP30

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-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO disclosed