SCHEMBL4755176

SCHEMBL4755176

Nc1nc(N)c2cc(C(=O)Oc3ccc(SC(F)(F)F)cc3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNK2 O95069 2/20 0.40
KCNK10 P57789 2/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4755522 0.85 KMT2A (0.46) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL4753250 0.82 ALDH1A1 (0.56) MAPTKMT2AALDH1A1
SCHEMBL4755362 0.81 PRSS1 (0.40)
SCHEMBL4755444 0.78 ALDH1A1 (0.42) MAPTALDH1A1
SCHEMBL4753332 0.76 KMT2A (0.52) MAPTKDM4EKMT2AALDH1A1
SCHEMBL4755431 0.76 HTT (0.44)
SCHEMBL4756506 0.75 DHFR (0.50) KMT2A
SCHEMBL4753631 0.73 KMT2A (0.43) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL13983985 0.73 GAA (0.55) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL4755224 0.73 DHFR (0.52) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed