SCHEMBL4065690

SCHEMBL4065690

COCCCNC(=O)Oc1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ADRB2 P07550 1/20 0.36
GRM5 P41594 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
FAAH O00519 1/20 0.35
PDE2A O00408 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
SCHEMBL4066534 0.95 MRGPRX4 (0.40) BRD4MRGPRX4GPR132ADRB2GRM5
SCHEMBL2966243 0.89 KMT2A (0.43) MRGPRX4ABL1GPR132KMT2AMEN1
SCHEMBL4072391 0.89 MRGPRX4 (0.40) MRGPRX4GPR132ADRB2GRM5FAAH
SCHEMBL4068088 0.89 FYN (0.40) MRGPRX4GPR132GRM5
SCHEMBL4064790 0.88 MRGPRX4 (0.39) MRGPRX4ADRB2GRM5PDE2A
SCHEMBL4073758 0.87 MRGPRX4 (0.41) MRGPRX4GPR132GRM5
SCHEMBL2973144 0.84 HPGD (0.45) MRGPRX4ABL1GPR132KMT2AMEN1
SCHEMBL4066415 0.83 GPR132 (0.46) GPR132ADRB2FAAH
SCHEMBL4068787 0.81 MRGPRX4 (0.40) MRGPRX4ADRB2GRM5PDE2A
SCHEMBL4072173 0.81 ATM (0.40) MRGPRX4

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
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 EP claimed