SCHEMBL10238505

SCHEMBL10238505

CC(C)c1ccc2ncc(-c3cncc(N[C@@H]4CCCNC4)n3)n2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.58
IRAK4 Q9NWZ3 9/20 0.58
IRAK1 P51617 3/20 0.58
LCK P06239 2/20 0.58
RET P07949 2/20 0.58
PDGFRB P09619 2/20 0.58
CDK7 P50613 2/20 0.58
BLK P51451 2/20 0.58
CCNH P51946 2/20 0.58
SRPK1 Q96SB4 1/20 0.58
NRAS P01111 7/20 0.51

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
SCHEMBL376983 0.94 FLT3 (0.57) FLT3IRAK4IRAK1LCKRET
SCHEMBL376738 0.85 FLT3 (0.79) FLT3IRAK4IRAK1LCKRET
SCHEMBL10239509 0.85 FLT3 (0.61) FLT3IRAK4IRAK1LCKRET
SCHEMBL10239817 0.85 FLT3 (0.61) FLT3IRAK4IRAK1LCKRET
SCHEMBL10239892 0.85 FLT3 (0.57) FLT3IRAK4IRAK1LCKRET
SCHEMBL376565 0.85 FLT3 (0.58) FLT3IRAK4IRAK1LCKRET
SCHEMBL376740 0.85 IRAK4 (0.64) FLT3IRAK4IRAK1LCKRET
SCHEMBL10239097 0.83 FLT3 (0.58) FLT3IRAK4IRAK1LCKRET
SCHEMBL10239502 0.82 FLT3 (0.57) FLT3IRAK4IRAK1LCKRET
SCHEMBL31000238 0.82 IRAK4 (0.54) FLT3IRAK4IRAK1LCKRET

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