SCHEMBL4780707

SCHEMBL4780707

Cc1ncc(Nc2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NC2CCNCC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
ACKR3 P25106 3/20 0.35
PRKAA2 P54646 4/20 0.34
GPR119 Q8TDV5 2/20 0.34
EGLN1 Q9GZT9 1/20 0.33
TYK2 P29597 1/20 0.32
STAT3 P40763 1/20 0.32
SMYD3 Q9H7B4 3/20 0.32
KDM1A O60341 1/20 0.32
HPGDS O60760 1/20 0.31
ALOX5AP P20292 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
AXL P30530 1/20 0.31
FLT3 P36888 1/20 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
SCHEMBL4781607 0.93 ACKR3 (0.41) NR1I2ACKR3PRKAA2GPR119TYK2
SCHEMBL4779570 0.92 SSTR4 (0.40) NR1I2ACKR3PRKAA2GPR119EGLN1
SCHEMBL4780719 0.90 TEK (0.39) NR1I2ACKR3PRKAA2GPR119EGLN1
SCHEMBL4782033 0.84 NR1I2 (0.35) NR1I2GPR119TYK2STAT3IRAK4
SCHEMBL4781611 0.83 TEK (0.39) NR1I2ACKR3PRKAA2
SCHEMBL4779207 0.83 NR1I2 (0.38) NR1I2ACKR3GPR119IRAK4
SCHEMBL4780817 0.83 NR1I2 (0.36) NR1I2GPR119IRAK4
SCHEMBL4782188 0.81 MEN1 (0.42) NR1I2ACKR3
SCHEMBL4783140 0.81 MAPK14 (0.36) NR1I2
SCHEMBL4783774 0.81 NR1I2 (0.36) NR1I2GPR119TYK2IRAK4

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed