SCHEMBL5289677

SCHEMBL5289677

COc1cc(N2CCN(C(C=O)n3ncc4cncnc43)CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 4/20 0.37
ALK Q9UM73 3/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3632086 0.88 CCR1 (0.42) CCR1LMNAMAPTBRD4ALK
SCHEMBL3639158 0.85 RAB9A (0.42) CCR1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL3635177 0.84 RAB9A (0.41) CCR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3632435 0.83 CCR1 (0.42) CCR1LMNAMAPTBRD4ALK
SCHEMBL3633791 0.82 CCR1 (0.42) CCR1LMNAMAPTBRD4SUV39H2
SCHEMBL4310454 0.82 CCR1 (0.43) CCR1LMNAMAPTBRD4SUV39H2
SCHEMBL4016748 0.81 CCR1 (0.56) CCR1LMNAMAPT
SCHEMBL3632583 0.80 CCR1 (0.41) CCR1LMNAMAPTBRD4ALK
SCHEMBL3632632 0.80 CCR1 (0.41) CCR1BRD4ALKSUV39H2
SCHEMBL3638408 0.79 CCR1 (0.40) CCR1LMNAMAPTBRD4ALK

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-2007002667-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO claimed
WO-2007002667-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed