SCHEMBL425814

SCHEMBL425814

CNc1cccc(C(=NN)c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
HTR2B P41595 1/20 0.38
DDR2 Q16832 1/20 0.38
SRC P12931 2/20 0.37
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
MAPK14 Q16539 2/20 0.36
KDR P35968 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL425347 0.88 DDR2 (0.42) SIGMAR1DDR2CASP7CASP6MAPK14
SCHEMBL425345 0.88 DDR2 (0.42) SIGMAR1DDR2CASP7CASP6MAPK14
SCHEMBL425820 0.87 MRGPRX4 (0.47) SIGMAR1DDR2CASP7CASP6KDR
SCHEMBL426673 0.86 MAPT (0.42) SIGMAR1HTR2BDDR2KITFLT3
SCHEMBL425402 0.86 KMO (0.45) SIGMAR1DDR2MAPK14
SCHEMBL430391 0.86 DDR2 (0.42) SIGMAR1HTR2BDDR2MAPK14
SCHEMBL425404 0.86 KMO (0.45) SIGMAR1DDR2MAPK14
SCHEMBL430389 0.86 DDR2 (0.42) SIGMAR1HTR2BDDR2MAPK14
SCHEMBL425298 0.84 L3MBTL1 (0.48) SIGMAR1CASP7CASP6
SCHEMBL425301 0.84 CASR (0.42) SIGMAR1DDR2CASP7CASP6

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
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed