SCHEMBL2858840

SCHEMBL2858840

CCCn1ncc2c(Nc3ccccc3)nc(-n3cccc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.55
HTR2C P28335 4/20 0.50
HCK P08631 2/20 0.47
PIM1 P11309 2/20 0.47
ALDH1A1 P00352 4/20 0.46
ABL1 P00519 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCR P11274 1/20 0.44
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2785338 0.82 SRC (0.56) SRCHCKPIM1ABL1NPC1
SCHEMBL2832666 0.73 SRC (0.59) SRCHTR2CHCKPIM1ABL1
SCHEMBL2807570 0.73 PIK3CA (0.56) SRCHTR2CABL1NPC1RAB9A
SCHEMBL2810178 0.71 GAA (0.56) SRCHTR2CABL1NPC1RAB9A
SCHEMBL17726066 0.71 SRC (1.00) SRCHCKPIM1ABL1
SCHEMBL2786942 0.71 HRH4 (0.54) SRCHTR2CALDH1A1ABL1MAPT
SCHEMBL2856614 0.71 PDE5A (0.55) SRCALDH1A1MAPTHPGDTP53
SCHEMBL2882852 0.70 HTR2C (0.61) SRCHTR2CABL1
SCHEMBL2856457 0.69 PIK3CA (0.52) SRCHTR2CALDH1A1ABL1NPC1
SCHEMBL2786916 0.69 PIK3CA (0.51) SRCHTR2CALDH1A1ABL1NPC1

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