SCHEMBL17530775

SCHEMBL17530775

Cc1ccc2nc(N3CCCC3)c(COc3ncnc(N)n3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRK1 P41145 7/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 2/20 0.36
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL17530763 0.91 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL17530825 0.84 PRMT5 (0.38) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL716728 0.80 PIK3CD (0.57) TSHRL3MBTL1PIK3CDALOX15CASP1
SCHEMBL17530806 0.72 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL714331 0.71 PIK3CD (0.59) KDM4EMEN1KMT2APIK3CDPIK3C2B
SCHEMBL17530800 0.68 IRAK4 (0.38) MAPTKDM4ESMN1; SMN2LMNATSHR
SCHEMBL715578 0.66 PIK3CD (0.47) PIK3CDPIK3C2B
SCHEMBL14595394 0.63 CHRM4 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21171317 0.62 OPRK1 (0.73) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL12162012 0.60 PRKDC (0.59) MAPTKDM4EALDH1A1SMN1; SMN2LMNA

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-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed