SCHEMBL2541935

SCHEMBL2541935

COCCc1[nH]c2ncnn2c(=O)c1Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 9/20 0.37
APLNR P35414 1/20 0.36
AR P10275 1/20 0.35
PDE2A O00408 1/20 0.34
NR3C2 P08235 1/20 0.34
SCD O00767 1/20 0.34
ADORA2B P29275 1/20 0.33
P2RX7 Q99572 3/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2465551 0.90 MBOAT4 (0.40) MBOAT4PDE2AADORA2B
SCHEMBL2456189 0.88 NR3C2 (0.37) MBOAT4APLNRARPDE2ANR3C2
SCHEMBL2461078 0.81 ENPP1 (0.42)
SCHEMBL2457055 0.78 AR (0.35) MBOAT4ARPDE2ANR3C2ADORA2B
SCHEMBL2455141 0.77 KDM4A (0.39) MBOAT4PDE2ASCDP2RX7
SCHEMBL2453480 0.77 MBOAT4 (0.39) MBOAT4ARPDE2AADORA2BP2RX7
SCHEMBL2457053 0.77 PDE2A (0.45) MBOAT4ARPDE2AP2RX7
SCHEMBL2464506 0.73 MBOAT4 (0.40) MBOAT4PDE2AADORA2BP2RX7
SCHEMBL12324393 0.71 NR3C2 (0.36) MBOAT4APLNRARNR3C2ADORA2B
SCHEMBL2455233 0.70 DAO (0.38) MBOAT4P2RX7LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed