SCHEMBL3445284

SCHEMBL3445284

CCn1nnc2c(Nc3ccc(N)c(Cl)c3)nc(NCC(C)O)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.45
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDK1 P06493 3/20 0.37
PRKCA P17252 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.37
CCNB1 P14635 1/20 0.36
EIF2AK2 P19525 1/20 0.36
GSK3B P49841 1/20 0.36
MERTK Q12866 1/20 0.36
HTT P42858 1/20 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
SCHEMBL3445311 0.93 FLT3 (0.45) FLT3CDK5CDK5R1POLBALDH1A1
SCHEMBL3444649 0.92 CDK5 (0.40) FLT3CDK5CDK5R1POLBALDH1A1
SCHEMBL3445721 0.89 FLT3 (0.46) FLT3CDK5CDK5R1ALDH1A1KDM4E
SCHEMBL3445890 0.88 FLT3 (0.47) FLT3CDK5CDK5R1POLBALDH1A1
SCHEMBL3445414 0.86 ALDH1A1 (0.49) FLT3CDK5CDK5R1POLBALDH1A1
SCHEMBL3444309 0.86 FLT3 (0.58) FLT3CDK5CDK5R1ALDH1A1KDM4E
SCHEMBL3445056 0.85 CDK1 (0.52) FLT3CDK5CDK5R1POLBALDH1A1
SCHEMBL3444882 0.85 CLK1 (0.46) FLT3ALDH1A1KDM4EMAPTHPGD
SCHEMBL3445386 0.85 CDK1 (0.49) FLT3CDK5CDK5R1POLBALDH1A1
SCHEMBL3446013 0.84 BCDIN3D (0.41) FLT3CDK5CDK5R1POLBALDH1A1

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