SCHEMBL13429734

SCHEMBL13429734

CN(C)CCCOc1ccc(-c2nc3c(NCCC4CN=C(NC(=O)Nc5ccccc5)S4)ncnc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 14/20 0.53
▸ AURKB Q96GD4 3/20 0.49
▸ ADK P55263 2/20 0.45
▸ PTPN1 P18031 1/20 0.41
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ TNK2 Q07912 3/20 0.38
▸ LCK P06239 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
SCHEMBL13429733 0.89 ADK (0.48) AURKAAURKBADK
SCHEMBL13430209 0.86 AURKA (0.41) AURKAAURKBPTPN1
SCHEMBL13429851 0.86 AURKA (0.47) AURKAAURKBNTRK1CSF1RFLT3
SCHEMBL13430271 0.86 AURKA (0.48) AURKAAURKBNTRK1CSF1RFLT3
SCHEMBL13430258 0.82 ADK (0.43) AURKAAURKBADK
SCHEMBL13430256 0.82 ADK (0.43) AURKAAURKBADKNTRK3NTRK2
SCHEMBL13399826 0.81 AURKA (0.68) AURKAAURKBADKNTRK1CSF1R
SCHEMBL13430228 0.81 AURKA (0.69) AURKAAURKBNTRK1CSF1RFLT3
SCHEMBL13399991 0.80 AURKA (0.74) AURKAAURKBADK
SCHEMBL13430281 0.78 AURKA (0.49) AURKAAURKBNTRK1CSF1RFLT3

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-2010036629-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — WO disclosed
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