SCHEMBL4392941

SCHEMBL4392941

Nc1nc(Nc2ccc(N3CCOCC3)cc2)c2cnn([C@H]3CC[C@@H](N)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.47
HTR2C P28335 2/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 3/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
MERTK Q12866 2/20 0.41
MTOR P42345 3/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 1/20 0.41
MAPK14 Q16539 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
BTK Q06187 1/20 0.41
TP53 P04637 1/20 0.41
CDK4 P11802 2/20 0.41

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
SCHEMBL3757216 0.85 CDK4 (0.48) FLT3MAPTMAPK1MEN1KMT2A
SCHEMBL3750895 0.80 CDK4 (0.51) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL1591330 0.72 FLT3 (0.47) FLT3MAPTMAPK1KDM4EMEN1
SCHEMBL30465997 0.70 HRH3 (0.43) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL31236237 0.68 HTR2C (0.49) HTR2CMEN1KMT2A
SCHEMBL26102644 0.68 PDE1C (0.46)
SCHEMBL30782433 0.68 ABL1 (0.56) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3749814 0.67 JAK3 (0.45) FLT3MAPTMAPK1MERTKTP53
SCHEMBL12639296 0.67 CDK4 (0.72) CDK4AURKACCNB2CCNE2CDK1
SCHEMBL1355413 0.67 CDK4 (0.72) CDK4AURKACCNB2CCNE2CDK1

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
EP-2123654-A1 PYRAZOLOPYRIMIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 EP disclosed