SCHEMBL16200166

SCHEMBL16200166

Cc1nn(C)c(-c2ccccn2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 5/20 0.42
POLB P06746 2/20 0.42
BLM P54132 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
METAP1 P53582 2/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 5/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
APAF1 O14727 1/20 0.42
KDM4A O75164 1/20 0.42
TDP2 O95551 1/20 0.42

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
SCHEMBL13683059 0.80 ADORA1 (0.40) KDM4ELMNAPOLBBLMCCR1
SCHEMBL16200167 0.79 BRD4 (0.35) KDM4ELMNAPOLBBLMNPC1
SCHEMBL16200286 0.77 NPC1 (0.45) KDM4ELMNAPOLBBLMCCR1
SCHEMBL7250905 0.75 MAPT (0.50) KDM4ELMNAPOLBBLMCCR1
SCHEMBL13184354 0.75 KDM4E (0.43) KDM4ELMNAPOLBBLMCCR1
SCHEMBL10514864 0.74 CA9 (0.44) KDM4ELMNAPOLBBLMCCR1
SCHEMBL17159707 0.73 KDM4E (0.41) KDM4ELMNAPOLBBLMCCR1
SCHEMBL27519517 0.71 PDE2A (0.46) KDM4ECCR1CCR5CCR8NPC1
SCHEMBL13430363 0.70 KDM4E (0.45) KDM4ELMNAPOLBBLMCCR1
SCHEMBL31221234 0.70 BRD4 (0.43) KDM4ELMNAPOLBBLMCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed