SCHEMBL5301075

SCHEMBL5301075

O=C(O)Nc1nc(C(F)(F)F)c(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
XPO1 O14980 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATF1 P18846 2/20 0.36
NFKB1 P19838 2/20 0.36
GRM4 Q14833 5/20 0.36
RIPK1 Q13546 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
AHR P35869 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
CNR2 P34972 1/20 0.33
DYRK1A Q13627 2/20 0.33

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
SCHEMBL23214098 0.81 ALDH1A1 (0.40) CCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL2511068 0.77 KMT2A (0.52) XPO1MEN1KMT2AMAPTALDH1A1
SCHEMBL7230088 0.77 POLB (0.34) GRM4RIPK1MAPTALDH1A1DYRK1A
SCHEMBL7229990 0.77 RIPK1 (0.34) MEN1KMT2AATF1NFKB1GRM4
SCHEMBL18010978 0.76 RIPK1 (0.35) CCR2MEN1KMT2AATF1NFKB1
SCHEMBL3810678 0.74 MAPT (0.39) CCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL3823010 0.74 RAB9A (0.44) CCR2MEN1KMT2AALDH1A1RAB9A
SCHEMBL7239127 0.73 GRM5 (0.54) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL16636659 0.73 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL20481515 0.72 ATF1 (0.38) CCR2XPO1MEN1KMT2AATF1

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
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 US disclosed
EP-1831164-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067401-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed