SCHEMBL13730254

SCHEMBL13730254

Nc1ccc(C(F)(F)F)nc1Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ BCL6 P41182 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ SYK P43405 5/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ IDH2 P48735 2/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL17077800 0.78 SYK (0.46) MAPTALDH1A1KDM4ESYKHTT
SCHEMBL22093021 0.77 MAPK8 (0.51) SYKLMNA
SCHEMBL12984259 0.76 DHODH (0.53) MAPTALDH1A1KMT2AMEN1GFER
SCHEMBL2528881 0.76 SYK (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL30721208 0.76 DHODH (0.53) MAPTALDH1A1KMT2AMEN1GFER
SCHEMBL10280708 0.75 MAT2A (0.40) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL13730151 0.75 GSK3B (0.56) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL14604480 0.75 TRPV1 (0.44) KMT2AL3MBTL1MEN1SYKCYP3A4
SCHEMBL30069224 0.74 BCL6 (0.49) MAPTALDH1A1KMT2AL3MBTL1BCL6
SCHEMBL849309 0.74 SYK (0.44) MAPTALDH1A1KMT2AKDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 — — WO disclosed
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