SCHEMBL3715739

SCHEMBL3715739

CNC(=O)Nc1cccc(Nc2ncc(C(=O)NNCc3ccccc3)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.51
HDAC1 Q13547 8/20 0.51
HDAC2 Q92769 8/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 6/20 0.47
KDR P35968 1/20 0.45
BTK Q06187 2/20 0.42
BLK P51451 1/20 0.42
EGFR P00533 1/20 0.41
JAK3 P52333 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP3K5 Q99683 1/20 0.41
VNN1 O95497 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL3722314 0.88 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL2716087 0.75 JAK1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL3723105 0.75 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL913709 0.74 STAT6 (0.62) EGFRJAK3
SCHEMBL3716006 0.73 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL913543 0.69 STAT6 (0.55) BTKEGFRJAK3MAP3K5
SCHEMBL17434737 0.68 MAPT (0.44) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL17589369 0.68 KMT2A (0.66) KDRSMN1; SMN2LMNA
SCHEMBL3716229 0.67 CCNT1 (0.53) HDAC3HDAC1HDAC2HDAC6BTK
SCHEMBL7803055 0.66 KDR (0.58) HDAC2HDAC8HDAC6KDRSMN1; SMN2

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed