SCHEMBL3933146

SCHEMBL3933146

Cc1cnc2c(ncn2-c2ccccc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.51
PI4K2B Q8TCG2 3/20 0.51
PI4K2A Q9BTU6 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
EGFR P00533 1/20 0.51
XDH P47989 1/20 0.42
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40
SLC2A3 P11169 1/20 0.40
GAK O14976 1/20 0.40
HTT P42858 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
SCHEMBL12628673 0.76 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KB
SCHEMBL17691571 0.70 HTT (0.56) FGFR1SRCHTT
SCHEMBL13731216 0.70 XDH (0.52) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5146335 0.68 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL9150129 0.68 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25878225 0.68 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25878226 0.68 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL22431902 0.68 CYP2D6 (0.55) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL28298222 0.68 ADORA2A (0.58) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL3236039 0.67 EGFR (0.51) PI4KAPI4K2BPI4K2API4KBEGFR

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-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP claimed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO claimed