SCHEMBL4018376

SCHEMBL4018376

CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33
CTSK P43235 2/20 0.33
MAPT P10636 2/20 0.33
TLR8 Q9NR97 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
KCNN4 O15554 1/20 0.33
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MCHR1 Q99705 1/20 0.31
CTSS P25774 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4025845 0.78 KDM4E (0.32) CYP19A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4018934 0.75 PDE2A (0.31) ALDH1A1KDM4EHPGDMAPTKCNN4
SCHEMBL4018747 0.74 CYP11B1 (0.31)
SCHEMBL4181101 0.71
SCHEMBL16125134 0.71 TLR8 (0.33) ALDH1A1GAATLR8MEN1KMT2A
SCHEMBL16125140 0.71 P2RX7 (0.34) TLR8MEN1KMT2A
SCHEMBL6104782 0.70 ACSS2 (0.34) GAAMEN1KMT2A
SCHEMBL4382643 0.69 SIRT2 (0.54) CYP19A1
SCHEMBL8806580 0.69 KMT2A (0.44) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL8188378 0.68 KMT2A (0.46) GAAKCNN4MEN1KMT2A

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
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed