SCHEMBL6630723

SCHEMBL6630723

COC(=O)Oc1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(=O)NCCC(N)=O)cc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
GCGR P47871 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
AURKB Q96GD4 3/20 0.36
MAPK14 Q16539 1/20 0.36
CASP3 P42574 1/20 0.35
FLT3 P36888 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL6631026 0.93 PAX8 (0.39) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL6631299 0.92 ABL1 (0.40) MEN1KMT2AAURKBMAPK14CASP3
SCHEMBL6627099 0.91 NAMPT (0.40) TDP1MEN1KMT2AAURKBCASP3
SCHEMBL3848974 0.88 KMT2A (0.41) TDP1MEN1KMT2AMAPK14MAPT
SCHEMBL6630236 0.87 MCHR1 (0.46) MEN1KMT2AAURKBMCHR1
SCHEMBL6630893 0.87 MCHR1 (0.51) TDP1MEN1KMT2APOLBMCHR1
SCHEMBL6630370 0.87 KMT2A (0.41) TDP1MEN1KMT2AAURKBCASP3
SCHEMBL6629437 0.86 DGAT1 (0.38) MEN1KMT2AADCY6ADCY3ADCY9
SCHEMBL6655582 0.86 KMT2A (0.41) TDP1MEN1KMT2AAURKBCASP3
SCHEMBL5269090 0.86 BACE1 (0.41) TDP1KMT2AAURKBMAPK14CASP3

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
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed