SCHEMBL6270216

SCHEMBL6270216

CNc1cncc(-c2nc(C)c(CCO)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
ZAP70 P43403 2/20 0.46
SYK P43405 2/20 0.46
FYN P06241 2/20 0.35
SCD O00767 1/20 0.34
TP53 P04637 5/20 0.32
MAPT P10636 6/20 0.31
LMNA P02545 5/20 0.31
THRB P10828 2/20 0.31
TKT P29401 1/20 0.30

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
SCHEMBL261442 0.75 SRC (0.47) SRCZAP70SYKTP53MAPT
SCHEMBL6273995 0.73 FYN (0.35) FYNSCD
SCHEMBL260103 0.68 MAPT (0.56) SRCZAP70SYKMAPTLMNA
SCHEMBL260421 0.67 LMNA (0.54) TP53MAPTLMNATHRB
SCHEMBL3372003 0.65 MAPT (0.55) TP53MAPTLMNATHRB
SCHEMBL263873 0.65 SRC (0.46) SRCZAP70SYKTP53MAPT
SCHEMBL279469 0.64 HTT (0.30) SRCZAP70SYKTP53MAPT
SCHEMBL263398 0.64 ALDH1A1 (0.45) SRCZAP70SYKTP53THRB
SCHEMBL259573 0.64 HTR2B (0.48) SRCZAP70SYKTP53MAPT
SCHEMBL29044473 0.63 SRC (0.39) SRCZAP70SYKTP53MAPT

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-2005105065-A2 THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES RENOPHARM LTD. (IL) 2005-11-10 WO disclosed