SCHEMBL7244553

SCHEMBL7244553

C/C(Nc1ccc(N(C)S(C)(=O)=O)cc1)=C1/C(=O)Nc2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.40
AKT2 P31751 3/20 0.40
AKT1 P31749 1/20 0.40
RET P07949 1/20 0.40
BRD4 O60885 10/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD2 P25440 2/20 0.38
USP2 O75604 1/20 0.36
MAPT P10636 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
SCHEMBL7244559 1.00 PDPK1 (0.40) PDPK1AKT2AKT1RETBRD4
SCHEMBL7243698 0.90 RET (0.45) PDPK1AKT2AKT1RETBRD4
SCHEMBL7243700 0.90 RET (0.45) PDPK1AKT2AKT1RETBRD4
SCHEMBL7236581 0.87 RET (0.41) PDPK1AKT2AKT1RETBRD4
SCHEMBL7236584 0.87 RET (0.41) PDPK1AKT2AKT1RETBRD4
SCHEMBL7084845 0.87 PDPK1 (0.39) PDPK1AKT2AKT1RETBRD4
SCHEMBL7084842 0.87 PDPK1 (0.39) PDPK1AKT2AKT1RETBRD4
SCHEMBL7227467 0.85 ALDH1A1 (0.44) PDPK1AKT2AKT1BRD4MEN1
SCHEMBL7246343 0.85 NAMPT (0.43) PDPK1AKT2AKT1RETBRD4
SCHEMBL7246340 0.85 NAMPT (0.43) PDPK1AKT2AKT1RETBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed