SCHEMBL3237453

SCHEMBL3237453

O=C(O)N1CC[C@@H](Nc2cncc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 16/20 0.49
FLT3 P36888 2/20 0.43
EGFR P00533 2/20 0.42
BTK Q06187 2/20 0.42

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
SCHEMBL376183 0.88 EIF2AK4 (0.49) EIF2AK4FLT3EGFRBTK
SCHEMBL376184 0.79 EIF2AK4 (0.46) EIF2AK4
SCHEMBL376271 0.79 IRAK4 (0.57) FLT3
SCHEMBL10239890 0.79 IRAK4 (0.57) FLT3
SCHEMBL376565 0.77 FLT3 (0.58) FLT3
SCHEMBL31000122 0.77 EIF2AK4 (0.43) EIF2AK4FLT3
SCHEMBL15203452 0.74 FLT3 (0.39) EIF2AK4FLT3
SCHEMBL15203433 0.74 MAPK8 (0.44) FLT3
SCHEMBL3233009 0.74 MAPK8 (0.44) FLT3
SCHEMBL10239880 0.73 EIF2AK4 (0.44) EIF2AK4

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
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO disclosed