SCHEMBL2369895

SCHEMBL2369895

Brc1sc2ncnc([CH]c3ccccn3)c2c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.34
LIMK1 P53667 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FGFR1 P11362 3/20 0.33
TNF P01375 1/20 0.33
MAPK1 P28482 1/20 0.33
NOD1 Q9Y239 1/20 0.33
PRKD3 O94806 2/20 0.32
MAP4K4 O95819 2/20 0.32
LCK P06239 2/20 0.32
CSF1R P07333 2/20 0.32
FLT1 P17948 2/20 0.32
KDR P35968 2/20 0.32

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
SCHEMBL2368964 0.78 MAPT (0.34) SMN1; SMN2MRGPRX1LIMK1MEN1KMT2A
SCHEMBL6359806 0.76 SMN1; SMN2 (0.39) ATMHTTSMN1; SMN2LIMK1NPC1
SCHEMBL5804191 0.75 FGFR1 (0.56) HTTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3382775 0.73 EGFR (0.36) ATMHTTSMN1; SMN2MRGPRX1LIMK1
SCHEMBL14965012 0.73 SMN1; SMN2 (0.42) HTTSMN1; SMN2MRGPRX1LIMK1MEN1
SCHEMBL3382778 0.70 TNF (0.61) HTTSMN1; SMN2RAB9ATNFMAPK1
SCHEMBL5792474 0.66 PTGS1 (0.43) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL3387010 0.63 LIMK1 (0.34) HTTSMN1; SMN2MRGPRX1LIMK1MEN1
SCHEMBL2369167 0.63 HTT (0.37) ATMHTTSMN1; SMN2MEN1KMT2A
SCHEMBL2369352 0.62 ATM (0.37) ATMSMN1; SMN2MEN1KMT2ANPC1

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-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed