SCHEMBL5593153

SCHEMBL5593153

Cc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PDE2A O00408 3/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 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
SCHEMBL5593251 0.96 TSHR (0.35) TSHRALOX15MAPK1POLBKMT2A
SCHEMBL5593267 0.95 CDK2 (0.35) TSHRALOX15MAPK1POLBKMT2A
SCHEMBL5593250 0.89 MAPK1 (0.40) TSHRALOX15MAPK1KMT2AEGLN2
SCHEMBL5593148 0.87 PDE2A (0.36) KMT2AEGLN2IRAK4PDE2AMEN1
SCHEMBL5593259 0.85 MAPK1 (0.35) TSHRALOX15MAPK1POLBEGLN2
SCHEMBL5593138 0.85 MAPK1 (0.39) TSHRALOX15MAPK1POLBKMT2A
SCHEMBL5593478 0.85 EGLN2 (0.41) TSHRALOX15MAPK1KMT2AALDH1A1
SCHEMBL5593106 0.84 TSHR (0.38) TSHRALOX15MAPK1POLBKMT2A
SCHEMBL5593123 0.83 PDE2A (0.37) KMT2APDE2AMEN1
SCHEMBL5593507 0.82 BCL6 (0.38) KMT2APDE2AMEN1

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