SCHEMBL10238522

SCHEMBL10238522

Nc1ccn2c(-c3cncc(N[C@H]4CNC[C@H]4C4CC4)n3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.43
IRAK4 Q9NWZ3 8/20 0.39
NRAS P01111 2/20 0.34
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPK8 P45983 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL10239879 0.87 FLT3 (0.60) FLT3IRAK4NRASKDR
SCHEMBL10239867 0.86 FLT3 (0.47) FLT3IRAK4NRASCLK2CLK3
SCHEMBL12553680 0.86 FLT3 (0.42) FLT3IRAK4NRASMAPK8
SCHEMBL10238528 0.85 FLT3 (0.42) FLT3IRAK4NRAS
SCHEMBL10239098 0.85 IRAK4 (0.56) FLT3IRAK4MAPK8
SCHEMBL10239508 0.83 FLT3 (0.58) FLT3IRAK4NRASKDR
SCHEMBL10238526 0.82 IRAK4 (0.57) FLT3IRAK4NRASKDR
SCHEMBL13494284 0.80 FLT3 (0.39) FLT3IRAK4NRASPIM1PIM3
SCHEMBL10239492 0.80 FLT3 (0.39) FLT3IRAK4NRASFGFR3KDR
SCHEMBL12553679 0.77 FLT3 (0.59) FLT3IRAK4NRAS

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