SCHEMBL7243700

SCHEMBL7243700

CCS(=O)(=O)N(C)c1ccc(NC(C)=C2C(=O)Nc3ccc(N)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
AKT2 P31751 6/20 0.39
PDPK1 O15530 6/20 0.39
AKT1 P31749 1/20 0.39
BRD4 O60885 10/20 0.38
BRD2 P25440 2/20 0.37
PDK1 Q15118 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
SCHEMBL7243698 1.00 RET (0.45) RETAKT2PDPK1AKT1BRD4
SCHEMBL7236584 0.95 RET (0.41) RETAKT2PDPK1AKT1BRD4
SCHEMBL7236581 0.95 RET (0.41) RETAKT2PDPK1AKT1BRD4
SCHEMBL7244559 0.90 PDPK1 (0.40) RETAKT2PDPK1AKT1BRD4
SCHEMBL7244553 0.90 PDPK1 (0.40) RETAKT2PDPK1AKT1BRD4
SCHEMBL7246343 0.89 NAMPT (0.43) RETAKT2PDPK1AKT1BRD4
SCHEMBL7246340 0.89 NAMPT (0.43) RETAKT2PDPK1AKT1BRD4
SCHEMBL7082329 0.88 RET (0.42) RETAKT2PDPK1AKT1BRD4
SCHEMBL7082325 0.88 RET (0.42) RETAKT2PDPK1AKT1BRD4
SCHEMBL7245468 0.84 RET (0.41) RETAKT2PDPK1AKT1BRD4

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