SCHEMBL4679461

SCHEMBL4679461

NC(=O)COc1cccc(-n2cnnn2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
BLM P54132 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
TP53 P04637 3/20 0.68
MAPT P10636 2/20 0.65
KMT2A Q03164 6/20 0.63
TSHR P16473 3/20 0.60
LMNA P02545 2/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPK10 P53779 1/20 0.59
MEN1 O00255 1/20 0.56

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
SCHEMBL29928369 0.89 TP53 (0.72) POLBBLMTDP1TP53MAPT
SCHEMBL4581685 0.89 TP53 (0.72) POLBBLMTDP1TP53MAPT
SCHEMBL4581652 0.82 TP53 (0.70) TP53MAPTKMT2ATSHRLMNA
SCHEMBL1790357 0.81 TP53 (1.00) TDP1TP53MAPTKMT2ATSHR
SCHEMBL4581758 0.81 TP53 (0.82) POLBTDP1TP53MAPTKMT2A
SCHEMBL4211625 0.80 USP2 (0.62) TP53MAPTKMT2ATSHRLMNA
SCHEMBL4592430 0.80 TP53 (0.87) POLBTDP1TP53MAPTKMT2A
SCHEMBL4582080 0.80 TP53 (0.72) POLBTP53MAPTKMT2ATSHR
SCHEMBL15677935 0.79 TP53 (0.56) TP53MAPTKMT2ATSHRLMNA
SCHEMBL4582538 0.79 TP53 (0.71) POLBTP53MAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO disclosed