SCHEMBL27734330

SCHEMBL27734330

CN(C)c1ccc(NC=O)cc1.CON=Cc1c(N)ncnc1N1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 17/20 0.67
▸ KIT P10721 2/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 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
SCHEMBL28775244 0.89 FLT3 (0.66) FLT3KITPDGFRBEGFRERBB2
SCHEMBL27734124 0.87 FLT3 (0.67) FLT3KITPDGFRBEGFRERBB2
SCHEMBL27734245 0.86 FLT3 (0.68) FLT3KITPDGFRB
SCHEMBL27713822 0.84 FLT3 (0.69) FLT3KITPDGFRB
SCHEMBL13956850 0.82 FLT3 (0.55) FLT3KITPDGFRBEGFRERBB2
SCHEMBL5135470 0.82 FLT3 (0.55) FLT3KITPDGFRBEGFRERBB2
SCHEMBL27713850 0.81 FLT3 (0.70) FLT3KITPDGFRBEGFRERBB2
SCHEMBL13956707 0.80 FLT3 (1.00) FLT3KITPDGFRB
SCHEMBL27734328 0.80 FLT3 (1.00) FLT3KITPDGFRB
Tert-Butyl Formate SCHEMBL28077893 0.79 FLT3 (0.52) FLT3KITPDGFRB

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
CN-101242843-A Aminopyrimidines as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 — — CN disclosed
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