SCHEMBL4654607

SCHEMBL4654607

FC(F)(F)c1ccc(CNc2ccc(COc3c[nH]c4ncccc34)cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.71
KIT P10721 3/20 0.71
CDC7 O00311 5/20 0.46
CDK2 P24941 5/20 0.46
ROCK2 O75116 4/20 0.46
PIM1 P11309 4/20 0.46
PRKACA P17612 4/20 0.46
GSK3B P49841 4/20 0.46
HIPK2 Q9H2X6 4/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
MAP4K4 O95819 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
PDPK1 O15530 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FLT3 P36888 4/20 0.41
KDR P35968 3/20 0.41
CYP2C19 P33261 2/20 0.41
LCK P06239 2/20 0.41

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
SCHEMBL29431664 0.83 CSF1R (1.00) CSF1RKITCDC7CDK2ROCK2
SCHEMBL1268018 0.83 CSF1R (1.00) CSF1RKITCDC7CDK2ROCK2
Hydrochloric Acid SCHEMBL29973836 0.82 CSF1R (0.98) CSF1RKITCDC7CDK2ROCK2
Hydrochloric Acid SCHEMBL20166201 0.82 CSF1R (0.98) CSF1RKITCDC7CDK2ROCK2
SCHEMBL857484 0.79 CSF1R (0.70) CSF1RKITCDC7CDK2ROCK2
SCHEMBL1268092 0.77 CSF1R (0.65) CSF1RKITCDC7CDK2ROCK2
SCHEMBL1267463 0.77 CSF1R (0.68) CSF1RKITCDC7CDK2ROCK2
SCHEMBL878837 0.77 CSF1R (0.68) CSF1RKITCDC7CDK2ROCK2
SCHEMBL878781 0.77 CSF1R (0.68) CSF1RKITCDC7CDK2ROCK2
SCHEMBL857418 0.77 CSF1R (0.65) CSF1RKITCDC7CDK2ROCK2

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-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 WO disclosed