SCHEMBL4694944

SCHEMBL4694944

COc1cc(N2CCN(C(C=O)n3cc4cccnc4n3)CC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.41
ALK Q9UM73 2/20 0.40
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.36
BRD4 O60885 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
SCHEMBL3637368 0.87 CCR1 (0.41) CCR1SUV39H2
SCHEMBL3636906 0.86 CCR1 (0.42) CCR1ALKRXRAGRIN1GRIN2B
SCHEMBL3632624 0.86 CCR1 (0.43) CCR1
SCHEMBL4317440 0.86 CCR1 (0.42) CCR1SUV39H2BRD4
SCHEMBL3636075 0.85 ALDH1A1 (0.36) ALKSUV39H2
SCHEMBL3637478 0.84 CCR1 (0.39) CCR1BRD4
SCHEMBL3634696 0.83 CCR1 (0.46) CCR1ALK
SCHEMBL4692528 0.82 CCR1 (0.40) CCR1
SCHEMBL3639609 0.82 CCR1 (0.40) CCR1SUV39H2BRD4
SCHEMBL4693265 0.81 CCR1 (0.44) CCR1ALK

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
EP-1906965-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-04-09 EP disclosed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed