SCHEMBL5593145

SCHEMBL5593145

Cc1cc(F)c(-c2c(C)nc3ncnn3c2NC(C)C(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN2 Q96KS0 2/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5593490 0.89 MAPK1 (0.39) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL5593342 0.87 CYP1A2 (0.39) MAPK1TSHRHTTSMN1; SMN2KMT2A
SCHEMBL5593343 0.87 MAPK1 (0.35) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL5593155 0.87 MAPK1 (0.39) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL5593434 0.87 MAPK1 (0.40) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL5593336 0.86 EGLN2 (0.41) MAPK1TSHRALOX15HTTEGLN2
SCHEMBL5593373 0.83 TSHR (0.40) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL31020398 0.83 MAPK1 (0.42) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL5593250 0.80 MAPK1 (0.40) MAPK1TSHRALOX15HTTSMN1; SMN2
SCHEMBL5593451 0.79 MBOAT4 (0.42) MAPK1TSHRALOX15HTTSMN1; SMN2

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