SCHEMBL27779571

SCHEMBL27779571

OBO.c1cc2c3cc1C3CNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 4/20 0.47
DRD1 P21728 4/20 0.47
MAPK1 P28482 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Bromide SCHEMBL8905972 0.77 KDM4E (0.59) CYP3A4MEN1CYP2D6KMT2ADRD2
Bromide SCHEMBL8904455 0.75 KDM4E (0.56) CYP3A4MEN1CYP2D6KMT2ADRD2
SCHEMBL14494799 0.72 PARP1 (0.68) CYP3A4MEN1CYP2D6KMT2ADRD2
SCHEMBL11102977 0.72 PARP1 (0.68) CYP3A4MEN1CYP2D6KMT2ADRD2
SCHEMBL27520396 0.72 IGF1R (0.38) CYP3A4CYP2D6DRD2DRD1ALOX15
SCHEMBL11086909 0.71 DRD1 (0.61) CYP3A4MEN1CYP2D6KMT2ADRD2
SCHEMBL8904833 0.70 ACHE (0.44) CYP3A4MEN1CYP2D6KMT2ADRD1
SCHEMBL8904748 0.70 HTR2A (0.44) CYP3A4MEN1CYP2D6KMT2ADRD1
SCHEMBL18585775 0.70 CYP3A4 (0.66) CYP3A4MEN1CYP2D6KMT2ADRD2
SCHEMBL4312910 0.70 CYP2D6 (0.66) CYP3A4MEN1CYP2D6KMT2ADRD2

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
CN-101553233-B Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC 2013-05-29 CN disclosed
CN-101553233-A Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed