SCHEMBL2558375

SCHEMBL2558375

O=C(Cc1cccs1)Nc1ccc2c(I)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.56
▸ KMT2A Q03164 10/20 0.52
▸ MEN1 O00255 9/20 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 0.51
▸ MAPT P10636 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ AURKA O14965 2/20 0.49
▸ AURKB Q96GD4 2/20 0.49

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
SCHEMBL2557544 0.91 TTK (0.63) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4146278 0.75 TTK (0.58) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL1461383 0.75 GSK3B (0.64) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL25243779 0.75 ITK (0.43) TTKAURKA
SCHEMBL2554976 0.74 MEN1 (0.61) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL2861303 0.74 TTK (0.75) TTKKMT2AMEN1SMN1; SMN2POLB
SCHEMBL2588127 0.72 TTK (1.00) TTKAURKBCYP2C9CA12CA1
SCHEMBL12281383 0.71 TTK (0.85) TTKAURKAAURKBCYP2C9
SCHEMBL4502111 0.71 GSK3B (0.57) AURKAAURKBCYP1A2
SCHEMBL2569096 0.71 TTK (0.60) TTKKMT2AMEN1SMN1; SMN2POLB

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