SCHEMBL5593399

SCHEMBL5593399

COc1nc2ncnn2c(NC(C)C(C)(C)C)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 3/20 0.34
ALOX15 P16050 1/20 0.34
EGLN2 Q96KS0 1/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
CRHR1 P34998 1/20 0.32
GALR3 O60755 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 3/20 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

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
SCHEMBL5593334 0.92 MAPK1 (0.34) MAPK1TSHRALOX15EGLN2SMN1; SMN2
SCHEMBL5593105 0.90 CYP1A2 (0.36) MAPK1SMN1; SMN2HTTLMNACRHR1
SCHEMBL5593343 0.90 MAPK1 (0.35) MAPK1TSHRALOX15EGLN2SMN1; SMN2
SCHEMBL5593490 0.88 MAPK1 (0.39) MAPK1TSHRALOX15EGLN2SMN1; SMN2
SCHEMBL5593494 0.86 CRHR1 (0.37) MAPK1TSHRALOX15EGLN2SMN1; SMN2
SCHEMBL5593127 0.86 TSHR (0.35) MAPK1TSHRALOX15EGLN2LMNA
SCHEMBL5593442 0.83 EGLN2 (0.40) MAPK1TSHRALOX15EGLN2HTT
SCHEMBL5593386 0.83 SMN1; SMN2 (0.35) MAPK1TSHRALOX15EGLN2SMN1; SMN2
SCHEMBL5593503 0.82 CYP1A2 (0.38) MAPK1SMN1; SMN2HTTLMNACRHR1
SCHEMBL5593039 0.82 CYP1A2 (0.40) MAPK1TSHRSMN1; SMN2HTTLMNA

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