SCHEMBL9219429

SCHEMBL9219429

Oc1cc(-c2cnn3c(O)ncnc23)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.43
HCK P08631 6/20 0.43
SRC P12931 6/20 0.43
KDR P35968 6/20 0.43
ABL1 P00519 4/20 0.43
EGFR P00533 4/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CB P42338 4/20 0.43
MTOR P42345 4/20 0.43
PIK3CG P48736 4/20 0.43
EPHB4 P54760 4/20 0.43
PRKDC P78527 4/20 0.43
BACE1 P56817 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
BTK Q06187 2/20 0.37
ATR Q13535 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 6/20 0.34
NPC1 O15118 5/20 0.34

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
SCHEMBL9221267 0.86 SMN1; SMN2 (0.40) PIK3CDHCKSRCKDRABL1
SCHEMBL9216188 0.86 RAB9A (0.36) PIK3CDHCKSRCKDRABL1
SCHEMBL9220988 0.84 MAPT (0.45) PIK3CDHCKSRCKDRABL1
SCHEMBL9219923 0.82 DGAT1 (0.39) HCKSRCKDRALDH1A1SMN1; SMN2
SCHEMBL9219419 0.82 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL9216083 0.81 ALDH1A1 (0.36) PIK3CDHCKSRCKDRABL1
SCHEMBL9215756 0.79 SRC (0.45) HCKSRCKDRABL1EGFR
SCHEMBL9220600 0.79 RAB9A (0.38) PIK3CDHCKSRCKDRABL1
SCHEMBL9215740 0.79 KMO (0.41) PIK3CDSRCABL1PIK3CAPIK3CB
SCHEMBL9220312 0.79 RAB9A (0.39) KDRALDH1A1SMN1; SMN2RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed