SCHEMBL2804510

SCHEMBL2804510

CCCn1ncc2c(Nc3ccc(C)cc3)nc(-c3cccc(F)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GGPS1 O95749 3/20 0.47
SRC P12931 4/20 0.46
PIK3CA P42336 4/20 0.46
HTR2C P28335 2/20 0.46
MAPT P10636 3/20 0.44
ABL1 P00519 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BCR P11274 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HAVCR2 Q8TDQ0 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL2832269 0.81 PIK3CA (0.46) NPC1RAB9AGGPS1PIK3CAMAPT
SCHEMBL2855842 0.80 HTR2C (0.48) NPC1RAB9AGGPS1PIK3CAHTR2C
SCHEMBL2856614 0.77 PDE5A (0.55) GGPS1SRCPIK3CAMAPTHTT
SCHEMBL2864782 0.75 MEN1 (0.53) NPC1RAB9APIK3CAHTR2CABL1
SCHEMBL2810178 0.75 GAA (0.56) NPC1RAB9ASRCHTR2CMAPT
SCHEMBL2875609 0.74 HTR2C (0.67) PIK3CAHTR2CMAPTMEN1KMT2A
SCHEMBL2860019 0.73 PIK3CA (0.58) GGPS1PIK3CAHTR2CMAPTMEN1
SCHEMBL2832666 0.70 SRC (0.59) SRCHTR2CMAPTABL1LMNA
SCHEMBL3185882 0.69 KDM4C (0.47) GGPS1SRCABCG2
SCHEMBL2785338 0.69 SRC (0.56) NPC1RAB9ASRCABL1MEN1

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed