SCHEMBL2557544

SCHEMBL2557544

O=C(Cc1cccs1)Nc1ccc2[nH]nc(I)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.63
▸ AURKA O14965 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ KMT2A Q03164 11/20 0.52
▸ MEN1 O00255 10/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ POLB P06746 5/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 5/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ BLM P54132 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL2558375 0.91 TTK (0.56) TTKAURKAAURKBKMT2AMEN1
SCHEMBL4146278 0.82 TTK (0.58) TTKAURKAAURKBKMT2AMEN1
SCHEMBL2861303 0.80 TTK (0.75) TTKAURKAAURKBKMT2AMEN1
SCHEMBL2569096 0.80 TTK (0.60) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL2588127 0.78 TTK (1.00) TTKAURKBCYP2C9CA12CA1
SCHEMBL2566478 0.77 TTK (0.62) TTKAURKAKMT2AMEN1NPC1
SCHEMBL12281383 0.77 TTK (0.85) TTKAURKAAURKBCYP2C9
SCHEMBL2554976 0.77 MEN1 (0.61) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL14863599 0.75 JAK2 (0.51) TTKAURKA
SCHEMBL12422530 0.75 TTK (0.59) TTKAURKAAURKBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
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