SCHEMBL7082329

SCHEMBL7082329

CCS(=O)(=O)N(C)c1ccc(NC(=C2C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
PDPK1 O15530 6/20 0.38
BRD4 O60885 5/20 0.38
BRD2 P25440 2/20 0.38
AKT2 P31751 2/20 0.36
AKT1 P31749 1/20 0.36
CYP3A4 P08684 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7082325 1.00 RET (0.42) RETPDPK1BRD4BRD2AKT2
SCHEMBL7091082 0.95 RET (0.38) RETPDPK1BRD4BRD2AKT2
SCHEMBL7091081 0.95 RET (0.38) RETPDPK1BRD4BRD2AKT2
SCHEMBL7084842 0.91 PDPK1 (0.39) RETPDPK1BRD4BRD2AKT2
SCHEMBL7084845 0.91 PDPK1 (0.39) RETPDPK1BRD4BRD2AKT2
SCHEMBL7087478 0.89 MAPT (0.46) NAMPTMEN1LMNAMAPTHTT
SCHEMBL7087474 0.89 MAPT (0.46) NAMPTMEN1LMNAMAPTHTT
SCHEMBL7243700 0.88 RET (0.45) RETPDPK1BRD4BRD2AKT2
SCHEMBL7243698 0.88 RET (0.45) RETPDPK1BRD4BRD2AKT2
SCHEMBL7081305 0.87 PDPK1 (0.42) RETPDPK1BRD4BRD2AKT2

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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed