SCHEMBL3445948

SCHEMBL3445948

CCn1nnc2c(Nc3ccc(Br)cc3)nc(NCC(C)N)nc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.51
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK1 P06493 5/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BCDIN3D Q7Z5W3 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3445484 0.90 KDM4E (0.49) FLT3CCNE1CDK2CDK1MEN1
SCHEMBL3444510 0.90 FLT3 (0.64) FLT3CCNE2CCNE1CDK2CDK1
SCHEMBL3445162 0.89 MEN1 (0.50) FLT3CCNE2CCNE1CDK2MEN1
SCHEMBL3446050 0.87 FLT3 (0.53) FLT3CCNE2CCNE1CDK2CDK1
SCHEMBL3444630 0.86 FLT3 (0.54) FLT3CCNE2CCNE1CDK2CDK1
SCHEMBL3446013 0.83 BCDIN3D (0.41) FLT3CDK1MEN1KMT2ABCDIN3D
SCHEMBL3444649 0.83 CDK5 (0.40) FLT3CDK1MEN1KMT2ABCDIN3D
SCHEMBL3445942 0.82 CDK1 (0.52) CCNE2CCNE1CDK2CDK1MEN1
SCHEMBL3444530 0.81 CLK1 (0.44) FLT3CDK1MEN1KMT2ABCDIN3D
SCHEMBL3444729 0.80 CDK1 (0.48) FLT3CCNE2CCNE1CDK2CDK1

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
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US claimed