SCHEMBL14906245

SCHEMBL14906245

Nc1cccc(C#Cc2cncc(C(=O)O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
DDO Q99489 1/20 0.51
FFAR1 O14842 1/20 0.48
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
SLC16A3 O15427 1/20 0.43
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
IKBKB O14920 1/20 0.40
HCAR2 Q8TDS4 4/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18339403 0.88 IKBKB (0.46) FFAR1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL834425 0.84 MAPT (0.58) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL26680780 0.84 CA12 (0.47) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL16782152 0.83 ATM (0.47) ALDH1A1FFAR1MAPTNPC1RAB9A
SCHEMBL27701522 0.81 FFAR1 (0.52) LMNAFFAR1MAPTNPC1RAB9A
SCHEMBL16782072 0.80 KDR (0.64) PDGFRBKDR
SCHEMBL16782074 0.79 KDR (0.44) FFAR1MAPTPDGFRBKDR
SCHEMBL1028239 0.79 MAPT (0.45) ALDH1A1FFAR1MAPTCSNK2A2CSNK2B
SCHEMBL11949569 0.77 MAPT (0.55) MAPTPDGFRBKDRIKBKB
SCHEMBL23012143 0.76 HCAR2 (0.53) KDM4EMEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768809-B1 PYRIDINE-SULFOXIMINES AS TYROSINE KINASE INHIBITORS ALLERGAN INC (US) 2016-03-09 EP disclosed
WO-2015089220-A1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2015-06-18 WO disclosed
WO-2015089210-A1 SUBSTITUTED DIALKYL(OXIDO)-Λ4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2015-06-18 WO disclosed
WO-2013062843-A1 PYRIDINE- SULFOXIMINES AS TYROSINE KINASE INHIBITORS ALLERGAN, INC. (US) 2013-05-02 WO disclosed