SCHEMBL3976688

SCHEMBL3976688

COc1ccnc(CCc2cc(Nc3ccnc(Cl)n3)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.42
NOS1 P29475 11/20 0.42
NOS3 P29474 8/20 0.42
CYP2C9 P11712 1/20 0.42
IGF1R P08069 3/20 0.40
FGFR1 P11362 2/20 0.40
KDR P35968 2/20 0.40
PDE8A O60658 1/20 0.40
ROCK1 Q13464 1/20 0.39
PLA2G2A P14555 1/20 0.38
EGFR P00533 1/20 0.37
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL3928820 0.88 CLK4 (0.42) CYP2C9IGF1RFGFR1KDRROCK1
SCHEMBL3980913 0.88 FGFR1 (0.50) IGF1RFGFR1KDR
SCHEMBL3934716 0.87 NR3C2 (0.44) CYP2C9IGF1RFGFR1KDRROCK1
SCHEMBL4089841 0.87 FGFR1 (0.54) NOS2NOS1NOS3CYP2C9IGF1R
SCHEMBL3932128 0.85 FGFR1 (0.46) IGF1RFGFR1KDRDYRK1ACLK4
SCHEMBL3928183 0.79 IGF1R (0.41) CYP2C9IGF1RFGFR1KDRCLK4
SCHEMBL3942011 0.76 IGF1R (0.40) IGF1RFGFR1KDRROCK1
SCHEMBL24975420 0.75 MAPT (0.48) DYRK1ACLK4
SCHEMBL3928122 0.75 KCNH2 (0.40) NOS1ROCK1DYRK1A
SCHEMBL3979717 0.75 IGF1R (0.47) NOS2NOS1CYP2C9IGF1RFGFR1

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-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed