SCHEMBL4750648

SCHEMBL4750648

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC4CCCN(Cc5ccccc5)C4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.41
TNK2 Q07912 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
AKT1 P31749 1/20 0.37
BCHE P06276 1/20 0.37
ROCK1 Q13464 5/20 0.37
ROCK2 O75116 3/20 0.37
KCNH2 Q12809 2/20 0.36
CCR2 P41597 1/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
ZAP70 P43403 1/20 0.36
JAK3 P52333 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1785065 1.00 LCK (0.41) LCKTNK2L3MBTL1AKT1BCHE
SCHEMBL4750936 0.92 TNK2 (0.42) LCKTNK2ROCK1ROCK2KCNH2
SCHEMBL1786414 0.92 TNK2 (0.42) LCKTNK2ROCK1ROCK2KCNH2
SCHEMBL1787145 0.88 CHRNB4 (0.38) LCKTNK2JAK2EGFRSRC
SCHEMBL14467158 0.88 CHRNB4 (0.38) LCKTNK2JAK2EGFRSRC
SCHEMBL1789509 0.86 BCHE (0.40) LCKTNK2L3MBTL1AKT1BCHE
SCHEMBL4698935 0.86 BCHE (0.40) LCKTNK2L3MBTL1AKT1BCHE
SCHEMBL1787400 0.86 EGFR (0.34) LCKTNK2JAK2EGFRSRC
Formic Acid SCHEMBL1787516 0.86 CHRNB4 (0.36) LCKTNK2JAK2EGFRSRC
SCHEMBL1787367 0.85 TNK2 (0.36) LCKTNK2L3MBTL1JAK2EGFR

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
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed