SCHEMBL7084871

SCHEMBL7084871

N#Cc1cccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
BRAF P15056 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TLK2 Q86UE8 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GRM5 P41594 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STK10 O94804 3/20 0.39
SLK Q9H2G2 3/20 0.39
GRM4 Q14833 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL7084876 1.00 PDPK1 (0.43) PDPK1BRAFALDH1A1MAPTTLK2
SCHEMBL7088689 0.90 KDR (0.44) PDPK1ALDH1A1MAPTTLK2MEN1
SCHEMBL7088684 0.90 KDR (0.44) PDPK1ALDH1A1MAPTTLK2MEN1
SCHEMBL6320241 0.88 ALDH1A1 (0.46) BRAFALDH1A1MAPTTLK2HTT
SCHEMBL6322601 0.88 ALDH1A1 (0.46) BRAFALDH1A1MAPTTLK2HTT
SCHEMBL7087980 0.88 PDPK1 (0.50) PDPK1ALDH1A1MAPTTLK2LMNA
SCHEMBL7087977 0.88 PDPK1 (0.50) PDPK1ALDH1A1MAPTTLK2LMNA
SCHEMBL7086761 0.87 PDPK1 (0.45) PDPK1TLK2KDR
SCHEMBL29643001 0.87 PDPK1 (0.45) PDPK1TLK2KDR
SCHEMBL7086762 0.87 PDPK1 (0.45) PDPK1TLK2KDR

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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed