SCHEMBL8324460

SCHEMBL8324460

CCOc1ccc2nc(CC)c(C(=O)O)c(Nc3ccc(OCCN(CC)CC)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
KDR P35968 3/20 0.40
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
MCHR1 Q99705 1/20 0.39
ESR1 P03372 2/20 0.39
LCK P06239 3/20 0.38
WEE1 P30291 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
SCHEMBL8330060 0.90 MAPT (0.39) LMNAKDM4EPOLBMAPTOPRM1
SCHEMBL8328970 0.87 PDE4B (0.40) HDAC6KDM4EPOLBMAPTOPRM1
SCHEMBL8327531 0.84 MAPT (0.43) HRH3KDRSRCABL1EGFR
Hydrochloric Acid SCHEMBL9050309 0.83 MAPT (0.42) HRH3KDRSRCABL1EGFR
SCHEMBL8331716 0.83 MAPT (0.37) CDK4LMNAKDM4EPOLBMAPT
SCHEMBL8328444 0.83 MAPT (0.42) HDAC6KDM4EPOLBMAPTOPRM1
SCHEMBL8324676 0.81 P2RX3 (0.41) SCN2AKDM4EPOLBMAPTOPRM1
SCHEMBL8329541 0.80 HDAC1 (0.43) KDRHDAC6POLBMAPTRAD52
SCHEMBL8324456 0.79 MAPT (0.55) LMNAMAPT
Hydrochloric Acid SCHEMBL8328215 0.78 MAPT (0.54) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed