SCHEMBL13002172

SCHEMBL13002172

CCC(C)c1cc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.55
▸ AURKB Q96GD4 6/20 0.55
▸ RIPK1 Q13546 2/20 0.55
▸ ABL1 P00519 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ FLT3 P36888 5/20 0.42
▸ KDR P35968 3/20 0.42
▸ RET P07949 3/20 0.42
▸ NTRK1 P04629 2/20 0.42
▸ PLK4 O00444 2/20 0.42
▸ FLT1 P17948 2/20 0.42
▸ BMPR1B O00238 1/20 0.42
▸ STK25 O00506 1/20 0.42
▸ RIOK3 O14730 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ MUSK O15146 1/20 0.42
▸ EPHB6 O15197 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ MAP3K13 O43283 1/20 0.42

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
SCHEMBL10295004 0.93 AURKA (0.57) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294839 0.90 AURKA (0.59) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294581 0.87 AURKA (0.70) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294965 0.87 AURKA (0.58) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294959 0.85 AURKA (0.57) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294992 0.84 AURKA (0.60) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294942 0.84 AURKA (0.73) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294939 0.84 AURKB (0.60) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294998 0.83 AURKA (0.61) AURKAAURKBRIPK1ABL1BCR
SCHEMBL10294883 0.82 AURKA (0.59) AURKAAURKBRIPK1ABL1BCR

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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