SCHEMBL17778912

SCHEMBL17778912

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cn(C)nc4C)ccn2)C2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 10/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33

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
SCHEMBL19689781 1.00 IRAK4 (0.35) IRAK4KCNH2EGFRKDM5APIK3C3
SCHEMBL19689744 0.90 PIK3C3 (0.41) IRAK4KCNH2PIK3C3MAPK1CSNK1D
SCHEMBL17778665 0.90 PIK3C3 (0.41) IRAK4KCNH2PIK3C3MAPK1CSNK1D
SCHEMBL17778744 0.90 RAF1 (0.39) IRAK4KCNH2PIK3C3
SCHEMBL19689861 0.89 CCNE1 (0.36) IRAK4KCNH2EGFRFGFR1FGFR2
SCHEMBL19706746 0.89 RAF1 (0.35) IRAK4KCNH2EGFRABL1DYRK1A
SCHEMBL19689724 0.89 RAF1 (0.35) IRAK4KCNH2EGFRABL1DYRK1A
SCHEMBL19689811 0.89 DYRK1A (0.42) IRAK4KCNH2PIK3C3ABL1MAPK1
SCHEMBL17778803 0.89 DYRK1A (0.42) IRAK4KCNH2PIK3C3ABL1MAPK1
SCHEMBL19689684 0.89 IRAK4 (0.36) IRAK4KCNH2EGFRKDM5APIK3C3

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-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
Send feedback