SCHEMBL7468845

SCHEMBL7468845

N#Cc1cc(F)c(Cn2ccnn2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.56
CCR1 P32246 2/20 0.38
CCR2 P41597 2/20 0.38
CCR4 P51679 2/20 0.38
CTSK P43235 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
DPP4 P27487 1/20 0.36
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
EGLN2 Q96KS0 2/20 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
SCHEMBL9156641 0.72 CYP19A1 (1.00) CYP19A1
SCHEMBL12468796 0.72 CYP19A1 (0.50) CYP19A1CCR1CCR2CCR4DPP4
SCHEMBL27453502 0.71 CYP19A1 (0.68) CYP19A1CCR1CCR2CCR4
SCHEMBL27864568 0.65 CYP11B1 (0.50) CYP19A1CCR1CCR2CCR4CTSK
SCHEMBL5468353 0.65 DPP4 (0.50) CYP19A1CCR1CCR2CCR4DPP4
SCHEMBL536576 0.64 EPAS1 (0.37) CYP19A1EGLN2
SCHEMBL12184920 0.64 CYP2A6 (0.41) CYP19A1EGLN2
SCHEMBL17514977 0.64 TTR (0.32) CYP19A1EGLN2
SCHEMBL20967889 0.64 CYP11B1 (0.33) CYP19A1EGLN2
SCHEMBL17864267 0.64 TTR (0.37) CYP19A1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918758-B1 PROCESS FOR PREPARING 1-SUBSTITUTED 4-CYANO-1,2,3-TRIAZOLES NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-6277999-B1 AS CHEMICAL INTERMEDIATE FOR PREPARATION OF DRUGS NOVARTIS AG (CH) 2001-08-21 US disclosed
US-6156907-A Process for preparing 1-substituted 4-cyano-1,2,3-triazoles NOVARTIS AG (CH) 2000-12-05 US disclosed
EP-0918758-A1 PROCESS FOR PREPARING 1-SUBSTITUTED 4-CYANO-1,2,3-TRIAZOLES Novartis AG (CH) 1999-06-02 EP disclosed
WO-1998002423-A1 PROCESS FOR PREPARING 1-SUBSTITUTED 4-CYANO-1,2,3-TRIAZOLES NOVARTIS AG (CH) 1998-01-22 WO disclosed