SCHEMBL2558505

SCHEMBL2558505

O=Cc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BTK Q06187 1/20 0.47
NPY5R Q15761 1/20 0.38
SCN2A Q99250 1/20 0.38
PIN1 Q13526 3/20 0.38
TNKS O95271 3/20 0.38
PARP1 P09874 3/20 0.38
TNKS2 Q9H2K2 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2555153 0.81 TNKS2 (0.38) NPC1RAB9ATNKSPARP1TNKS2
SCHEMBL15332178 0.81 TNKS (0.40) NPC1RAB9APOLBL3MBTL1TNKS
SCHEMBL15330967 0.81 NPC1 (0.39) NPC1RAB9ATNKSPARP1TNKS2
SCHEMBL15333336 0.81 MAPK1 (0.40) NPC1RAB9ASCN2ATNKSPARP1
SCHEMBL15331667 0.79 HRH1 (0.47) NPC1RAB9AGAAMAPTCYP1A2
SCHEMBL15330749 0.79 PIN1 (0.46) NPC1RAB9APOLBL3MBTL1NPY5R
SCHEMBL15330804 0.79 PIN1 (0.44) PIN1TNKS2GAAALDH1A1NISCH
SCHEMBL15330500 0.79 HRH1 (0.47) NPC1RAB9ANPY5RSCN2APIN1
SCHEMBL12127245 0.78 NPC1 (0.46) NPC1RAB9APOLBL3MBTL1BTK
SCHEMBL12127239 0.78 NPC1 (0.46) NPC1RAB9APOLBL3MBTL1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed