SCHEMBL9212913

SCHEMBL9212913

Oc1ncnc2c(-c3cccc(F)c3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RIPK2 O43353 1/20 0.39
FYN P06241 2/20 0.39
KMO O15229 1/20 0.39
GRM5 P41594 1/20 0.39
PLAT P00750 1/20 0.38
ESR2 Q92731 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAP4K4 O95819 2/20 0.37
PI4KA P42356 1/20 0.37

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
SCHEMBL9218534 0.86 SRC (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9219234 0.83 NPC1 (0.57) EGLN2NPC1RAB9AMEN1KMT2A
SCHEMBL9221803 0.83 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9213350 0.82 RAB9A (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9172768 0.82 RAB9A (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9220312 0.82 RAB9A (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9214289 0.80 KDR (0.50) EGLN2ALDH1A1FYNCYP1A2CYP3A4
SCHEMBL9216208 0.80 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9212121 0.79 KDR (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9222661 0.79 SIGMAR1 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1

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