SCHEMBL8085535

SCHEMBL8085535

Bc1ccc2nc(NC(C)=O)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.71
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2C9 P11712 1/20 0.69
FSCN1 Q16658 1/20 0.69
PDPK1 O15530 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 1/20 0.66
PIK3CG P48736 2/20 0.64
PIK3CA P42336 2/20 0.64
PIK3CB P42338 1/20 0.64
PI4KB Q9UBF8 1/20 0.64
ADORA1 P30542 1/20 0.63
LDHA P00338 1/20 0.59
STAT1 P42224 1/20 0.59

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
SCHEMBL2175580 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL10170616 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL4501407 0.82 DYRK1A (0.71) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL30561486 0.82 DYRK1A (0.79) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL715950 0.82 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL19807983 0.82 DYRK1A (0.79) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL11279344 0.82 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL15521825 0.82 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL758050 0.82 CLK1 (0.78) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6058154 0.81 DYRK1A (0.77) DYRK1ANPC1RAB9ACYP1A2CYP3A4

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
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed