SCHEMBL2456787

SCHEMBL2456787

Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.43
ALKBH3 Q96Q83 3/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 4/20 0.38
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR3C1 P04150 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
SCHEMBL2463316 0.89 THRB (0.46) CCR2ALKBH3THRBKDM4EALDH1A1
SCHEMBL2459259 0.87 CCR2 (0.51) CCR2ALKBH3
SCHEMBL2454543 0.87 ADCY10 (0.44) CCR2ALKBH3HPGDL3MBTL1KDM4E
SCHEMBL2464343 0.86 ALKBH3 (0.40) CCR2ALKBH3POLBTSHRHPGD
SCHEMBL2425276 0.86 KDM4E (0.46) ALKBH3HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL12324673 0.85 IDH1 (0.47) CCR2
SCHEMBL12324736 0.84 CCR2 (0.46) CCR2ALKBH3MAPTNR3C1
SCHEMBL2461969 0.81 PNP (0.39) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL2457171 0.81 ALKBH3 (0.48) CCR2ALKBH3POLBHPGDMEN1
SCHEMBL2462018 0.80 PDE10A (0.40) ALKBH3HPGDMEN1KMT2AKDM4E

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