SCHEMBL6606262

SCHEMBL6606262

CCCc1ccc(CC(=O)Nc2nc(C)c(C(=O)Nc3c(C)cc(C)cc3C)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.61
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
SCD O00767 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CSNK1D P48730 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL773697 0.88 LCK (0.63) LCKLMNAGAASCDMEN1
SCHEMBL14568890 0.88 LCK (0.74) LCKLMNAGAASCDALDH1A1
SCHEMBL773925 0.87 LCK (0.74) LCKGAAMEN1KMT2AALDH1A1
SCHEMBL774286 0.87 LCK (0.67) LCKLMNAGAASCDMEN1
SCHEMBL774411 0.87 LCK (0.60) LCKLMNAGAASCDMEN1
SCHEMBL774155 0.85 LCK (0.58) LCKLMNAGAASCDMEN1
SCHEMBL774405 0.84 LCK (0.64) LCKLMNAGAASCDMEN1
SCHEMBL774504 0.83 LCK (0.71) LCKLMNAGAASCDMEN1
SCHEMBL1541493 0.83 LCK (0.71) LCKMEN1KMT2AALDH1A1POLB
SCHEMBL1540156 0.83 LCK (0.74) LCKMEN1KMT2AALDH1A1POLB

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-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP claimed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO claimed