SCHEMBL7084845

SCHEMBL7084845

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.39
BRD4 O60885 5/20 0.39
BRD2 P25440 2/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 3/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
MAPK1 P28482 1/20 0.37
RET P07949 1/20 0.37
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.35
RAB9A P51151 4/20 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
SCHEMBL7084842 1.00 PDPK1 (0.39) PDPK1BRD4BRD2LMNAALDH1A1
SCHEMBL7082329 0.91 RET (0.42) PDPK1BRD4BRD2LMNAMEN1
SCHEMBL7087474 0.91 MAPT (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL7082325 0.91 RET (0.42) PDPK1BRD4BRD2LMNAMEN1
SCHEMBL7087478 0.91 MAPT (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL7081305 0.89 PDPK1 (0.42) PDPK1BRD4BRD2LMNAALDH1A1
SCHEMBL7081308 0.89 PDPK1 (0.42) PDPK1BRD4BRD2LMNAALDH1A1
SCHEMBL7091081 0.88 RET (0.38) PDPK1BRD4BRD2LMNAMEN1
SCHEMBL7091082 0.88 RET (0.38) PDPK1BRD4BRD2LMNAMEN1
SCHEMBL6320388 0.88 ALDH1A1 (0.41) BRD4BRD2LMNAALDH1A1MEN1

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