SCHEMBL13002159

SCHEMBL13002159

CC(=O)Nc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(CCO)CC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SRC P12931 1/20 0.47
▸ AURKA O14965 2/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ KIT P10721 4/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FLT3 P36888 2/20 0.38
▸ SIK2 Q9H0K1 4/20 0.38
▸ SIK3 Q9Y2K2 4/20 0.38
▸ ABL1 P00519 3/20 0.38
▸ SIK1 P57059 3/20 0.38
▸ OGA O60502 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
SCHEMBL10294971 0.92 AURKB (0.45) RAD52RECQLBLMSRCAURKA
SCHEMBL10294964 0.91 AURKA (0.43) RAD52RECQLBLMSRCAURKA
SCHEMBL10294847 0.91 AURKA (0.51) RAD52RECQLBLMSRCAURKA
SCHEMBL10294686 0.91 AURKA (0.55) SRCAURKAAURKBRIPK1KIT
SCHEMBL10295060 0.91 RAD52 (0.49) RAD52RECQLBLMSRCAURKA
SCHEMBL10294861 0.90 AURKA (0.45) SRCAURKAAURKBRIPK1KIT
SCHEMBL10294897 0.90 RAD52 (0.46) RAD52RECQLBLMSRCAURKA
SCHEMBL10294487 0.88 KIT (0.41) SRCAURKAAURKBRIPK1KIT
SCHEMBL10294796 0.86 AURKA (0.54) SRCAURKAAURKBRIPK1KIT
SCHEMBL10294993 0.84 AURKA (0.55) RAD52RECQLBLMSRCAURKA

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-2010144359-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — WO disclosed
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