SCHEMBL6916773

SCHEMBL6916773

CNc1ccc(Nc2nc(N)nc(N(C)C3CCN(C)CC3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 4/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 2/20 0.38
FGFR3 P22607 2/20 0.37
IDH2 P48735 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
FLT3 P36888 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 2/20 0.36

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
SCHEMBL6820022 0.86 CCNA2 (0.42) AXLCCNA2CDK2CCNA1IDH2
SCHEMBL4839029 0.85 GALR1 (0.46) CDK2FGFR3CDK4EHMT2
SCHEMBL5030770 0.85 IDH2 (0.47) AXLMEN1BLMKMT2AIDH2
SCHEMBL6270071 0.82 AXL (0.40) AXLBTKABL1BCRFGFR3
SCHEMBL27628454 0.77 TERT (0.43) NPC1RAB9AGAASMN1; SMN2JAK2
SCHEMBL5038282 0.76 IDH2 (0.48) AXLMEN1BLMKMT2AIDH2
SCHEMBL4836074 0.74 EHMT2 (0.49) AXLCDK2FGFR3CDK4EHMT2
SCHEMBL14300022 0.74 IDH2 (0.50) AXLCCNA2CDK2CCNA1BTK
SCHEMBL5550587 0.74 GALR1 (0.48) AXLCDK2ALDH1A1SMN1; SMN2CDK4
SCHEMBL5441794 0.74 GALR1 (0.44) AXLFGFR3EHMT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed