SCHEMBL5593334

SCHEMBL5593334

COc1nc2ncnn2c(NC(C)C(F)(F)F)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
EGLN2 Q96KS0 1/20 0.32
ABL1 P00519 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
CRHR1 P34998 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
GALR3 O60755 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5593399 0.92 MAPK1 (0.34) MAPK1TSHRALOX15EGLN2MBOAT4
SCHEMBL5593503 0.90 CYP1A2 (0.38) MAPK1ABL1MBOAT4CRHR1SMN1; SMN2
SCHEMBL5593343 0.88 MAPK1 (0.35) MAPK1TSHRALOX15EGLN2CRHR1
SCHEMBL5593155 0.88 MAPK1 (0.39) MAPK1TSHRALOX15EGLN2ABL1
SCHEMBL5593494 0.86 CRHR1 (0.37) MAPK1TSHRALOX15EGLN2CRHR1
SCHEMBL5593412 0.86 TSHR (0.35) MAPK1TSHRALOX15EGLN2ABL1
SCHEMBL5593444 0.83 EGLN2 (0.40) MAPK1TSHRALOX15EGLN2ABL1
SCHEMBL5593248 0.83 MBOAT4 (0.36) MAPK1TSHRALOX15EGLN2MBOAT4
SCHEMBL5593386 0.83 SMN1; SMN2 (0.35) MAPK1TSHRALOX15EGLN2CRHR1
SCHEMBL5593105 0.82 CYP1A2 (0.36) MAPK1ABL1CRHR1SMN1; SMN2ALDH1A1

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
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO disclosed