SCHEMBL10239089

SCHEMBL10239089

COC[C@@H]1C[C@@H](Nc2cncc(-c3cnc4cc(N)ccn34)n2)CN1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.48
NRAS P01111 4/20 0.36
IRAK4 Q9NWZ3 6/20 0.36
KDR P35968 5/20 0.35
CSF1R P07333 1/20 0.35
LCK P06239 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
CDK7 P50613 1/20 0.34
IRAK1 P51617 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL10238530 0.90 FLT3 (0.53) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10239886 0.90 FLT3 (0.53) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10238379 0.90 FLT3 (0.48) FLT3NRASIRAK4KDRCSF1R
SCHEMBL12553537 0.88 FLT3 (0.47) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10239824 0.86 IRAK4 (0.51) FLT3IRAK4
SCHEMBL10239503 0.85 FLT3 (0.46) FLT3NRASIRAK4LCKRET
SCHEMBL10239870 0.85 FLT3 (0.56) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10239866 0.84 FLT3 (0.54) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10239521 0.82 FLT3 (0.52) FLT3NRASIRAK4
SCHEMBL376386 0.81 IRAK4 (0.43) FLT3NRASIRAK4LCKRET

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