SCHEMBL16705131

SCHEMBL16705131

O=C1NC(=O)C(c2c[nH]c3ncccc23)=C1c1c[nH]c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.67
KDR P35968 1/20 0.67
PIM1 P11309 4/20 0.57
CDK2 P24941 3/20 0.56
PRKACA P17612 3/20 0.56
PRKD3 O94806 1/20 0.56
CCNB2 O95067 1/20 0.56
CCNE2 O96020 1/20 0.56
ABL1 P00519 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
PRKCA P17252 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
CCND1 P24385 1/20 0.56
PRKCH P24723 1/20 0.56
CCNE1 P24864 1/20 0.56

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
SCHEMBL13596802 0.91 PRKCB (0.72) FLT3KDRPIM1CDK2PRKACA
SCHEMBL5879226 0.90 FLT3 (0.57) FLT3KDRPIM1CDK2PRKACA
SCHEMBL29541048 0.88 FLT3 (0.58) FLT3KDRPIM1CDK2PRKACA
SCHEMBL19216935 0.83 KDR (0.60) FLT3KDRPIM1CDK2PRKACA
SCHEMBL5618155 0.82 TGFBR1 (0.71) FLT3PIM1CDK2PRKACAPRKD3
SCHEMBL1155501 0.82 KDR (1.00) FLT3KDRCDK2ABL1CDK4
SCHEMBL5879310 0.81 FLT3 (0.49) FLT3KDRPIM1CDK2PRKACA
Hydrochloric Acid SCHEMBL5571287 0.81 KDR (0.98) FLT3KDRCDK2ABL1CDK4
Hydrochloric Acid SCHEMBL5571286 0.80 KDR (0.96) FLT3KDRCDK2ABL1CDK4
SCHEMBL1050911 0.77 TGFBR1 (0.60) FLT3PIM1CDK2PRKACAPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed