SCHEMBL4441908

SCHEMBL4441908

Cc1ncccc1-c1nc2c(Cl)cccc2cc1CCN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.45
DPP4 P27487 1/20 0.42
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
P2RX7 Q99572 1/20 0.36
ADORA2A P29274 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4432811 0.88 PIK3CD (0.43) PIK3CDDPP4CCR1CCR8L3MBTL1
Hydrochloric Acid SCHEMBL4437577 0.88 PIK3CD (0.43) PIK3CDDPP4CCR1CCR8L3MBTL1
SCHEMBL4433320 0.83 PIK3CD (0.43) PIK3CDDPP4TAAR1
SCHEMBL16712480 0.82 PIK3CD (0.42) PIK3CDDPP4CCR1CCR8L3MBTL1
SCHEMBL4442988 0.80 PIK3CD (0.63) PIK3CDL3MBTL1GAA
SCHEMBL16585320 0.79 PIK3CD (0.47) PIK3CDDPP4CCR1CCR8L3MBTL1
SCHEMBL4175840 0.77 PIK3CD (0.45) PIK3CDCCR1CCR8L3MBTL1P2RX7
SCHEMBL4178020 0.77 CCR1 (0.39) PIK3CDCCR1CCR8L3MBTL1ALDH1A1
SCHEMBL10251837 0.76 PIK3CD (0.43) PIK3CDCCR1CCR8L3MBTL1ADORA2A
SCHEMBL4178087 0.75 DPP4 (0.51) PIK3CDDPP4ALDH1A1

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed