SCHEMBL4478035

SCHEMBL4478035

C[C@@H](Nc1c(-c2c(F)cc(NCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
APAF1 O14727 1/20 0.32
RAD52 P43351 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAP4K4 O95819 1/20 0.31
MAPT P10636 2/20 0.30
MAPK1 P28482 1/20 0.30
CCR6 P51684 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
FERMT2 Q96AC1 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
SCHEMBL5237546 1.00 EGLN2 (0.38) EGLN2SMN1; SMN2L3MBTL1APAF1RAD52
SCHEMBL4487797 1.00 EGLN2 (0.38) EGLN2SMN1; SMN2L3MBTL1APAF1RAD52
SCHEMBL4484604 0.95 SMN1; SMN2 (0.38) EGLN2SMN1; SMN2L3MBTL1MAPK1ALDH1A1
SCHEMBL4477784 0.95 SMN1; SMN2 (0.38) EGLN2SMN1; SMN2L3MBTL1MAPK1ALDH1A1
SCHEMBL4492499 0.95 SMN1; SMN2 (0.38) EGLN2SMN1; SMN2L3MBTL1MAPK1ALDH1A1
SCHEMBL4489213 0.88 EGLN2 (0.31) EGLN2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL4477886 0.88 TSHR (0.30) ALDH1A1POLBTSHRKMT2A
SCHEMBL4473310 0.88 EGLN2 (0.31) EGLN2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5235172 0.88 EGLN2 (0.31) EGLN2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL3223848 0.88 EGLN2 (0.32) EGLN2SMN1; SMN2MAPTALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US claimed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP claimed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP disclosed
EP-1680425-A1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-07-19 EP disclosed
WO-2005030775-A1 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO disclosed