SCHEMBL14337693

SCHEMBL14337693

Cc1ccsc1CNC1=NC(=O)/C(=C/c2ccc3ncc(C#N)cc3n2)S1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
KAT2B Q92831 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CLK1 P49759 2/20 0.31
LMNA P02545 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PNP P00491 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4D Q6B0I6 1/20 0.31

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
SCHEMBL3372767 1.00 BRD4 (0.32) BRD4KAT2BMEN1ALDH1A1MAPT
SCHEMBL3373570 1.00 BRD4 (0.32) BRD4KAT2BMEN1ALDH1A1MAPT
SCHEMBL3373888 0.84 CLK4 (0.40) MEN1ALDH1A1KMT2ACLK1LMNA
SCHEMBL13069461 0.84 CLK4 (0.40) MEN1ALDH1A1KMT2ACLK1LMNA
SCHEMBL3373887 0.84 CLK4 (0.40) MEN1ALDH1A1KMT2ACLK1LMNA
SCHEMBL13068955 0.83 ABL1 (0.35)
SCHEMBL3370583 0.83 ABL1 (0.35)
SCHEMBL3371539 0.83 ABL1 (0.35)
SCHEMBL5573809 0.82 ALDH1A1 (0.34) BRD4KAT2BMEN1ALDH1A1MAPT
SCHEMBL5573813 0.82 ALDH1A1 (0.34) BRD4KAT2BMEN1ALDH1A1MAPT

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-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed