SCHEMBL9216208

SCHEMBL9216208

CSc1cccc(-c2cnn3c(O)ncnc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LRRK2 Q5S007 1/20 0.39
IDO1 P14902 1/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
LCK P06239 2/20 0.37
HCK P08631 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
DYRK1B Q9Y463 2/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 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
SCHEMBL9215802 0.84 RAB9A (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9221803 0.83 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9218534 0.82 SRC (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9220203 0.82 RAB9A (0.34) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9219234 0.80 NPC1 (0.57) NPC1RAB9AMEN1KMT2ASRC
SCHEMBL9212913 0.80 EGLN2 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9214289 0.80 KDR (0.50) ALDH1A1SRCKDRDYRK1AMAPT
SCHEMBL9172768 0.79 RAB9A (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9221091 0.79 PIK3CD (0.30) HCKSRCKDR
SCHEMBL9210159 0.79 RAB9A (0.34) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1

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