SCHEMBL4713291

SCHEMBL4713291

Cc1cn(-c2cc(-n3cc(C)nc3C)cc(C(F)(F)F)c2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.42
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
CYP1A2 P05177 1/20 0.37
AR P10275 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
GRM5 P41594 7/20 0.34
PTGS1 P23219 1/20 0.34
PHGDH O43175 2/20 0.33
GSR P00390 1/20 0.33
XPO1 O14980 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
SCHEMBL30242169 0.89 NR2E1 (0.57) NR2E1NR3C1NR3C2CYP1A2AR
SCHEMBL27684812 0.84 TDP1 (0.41) NR3C1NR3C2CYP1A2GPR119GRM5
SCHEMBL31003556 0.83 GPR119 (0.38) NR2E1NR3C1NR3C2CYP1A2AR
SCHEMBL7315540 0.73 HPGD (0.38) NR2E1NR3C1NR3C2
SCHEMBL7309063 0.71 HPGD (0.39) NR3C1NR3C2ARGPR52GPR119
SCHEMBL12247671 0.71 GRM5 (0.49) NR3C1NR3C2CYP1A2GRM5
SCHEMBL9288141 0.71 TUBB4A (0.47) NR3C1NR3C2GPR119GRM5PTGS1
SCHEMBL7316258 0.70 HPGD (0.35) NR3C1NR3C2
SCHEMBL7317980 0.70 HPGD (0.35) ARGRM5
SCHEMBL13122900 0.69 NOTUM (0.37) NR3C1NR3C2GPR52GPR119GRM5

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-1922309-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Il Yang Pharm. Co. Ltd. (KR) 2008-05-21 EP disclosed
WO-2007018325-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL-YANG PHARM. CO., LTD. (KR) 2007-02-15 WO disclosed