SCHEMBL14095937

SCHEMBL14095937

Cc1c(CNC2CCN(S(=O)(=O)c3ccc(Nc4nccc(Nc5ccc(F)cc5)n4)cc3)CC2)cc(N)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CDK2 P24941 5/20 0.40
CCNE1 P24864 4/20 0.40
CDK4 P11802 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 6/20 0.39
CHUK O15111 4/20 0.39
CCNA2 P20248 1/20 0.38
PIK3CD O00329 2/20 0.38
PIK3C2G O75747 2/20 0.38
PIK3CG P48736 2/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL3302665 0.89 IKBKB (0.40) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3302472 0.87 MEN1 (0.45) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3300194 0.86 MEN1 (0.42) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3304044 0.84 RAB9A (0.44) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3301679 0.84 RAB9A (0.43) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3296619 0.84 RAB9A (0.43) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3298134 0.84 MAPT (0.47) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3298093 0.84 MAPT (0.50) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3301666 0.83 TP53 (0.51) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3296543 0.83 RAB9A (0.46) MAPTMEN1KMT2ANPC1LMNA

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-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed