SCHEMBL2561996

SCHEMBL2561996

O=Cc1ccc([C@@H]2CCN2)nc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNJ1 P48048 1/20 0.34
AKT1 P31749 2/20 0.31
CHRNA3 P32297 3/20 0.30
CHRNA7 P36544 3/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL2556129 1.00 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1L3MBTL1KDM4E
SCHEMBL2556655 0.89 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL2557988 0.89 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL2561385 0.87 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1L3MBTL1KDM4E
SCHEMBL2555955 0.87 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1L3MBTL1KDM4E
SCHEMBL2562799 0.79 CSNK1D (0.35) ALDH1A1L3MBTL1KDM4EKCNJ1
SCHEMBL2561169 0.79 CSNK1D (0.35) ALDH1A1L3MBTL1KDM4EKCNJ1
SCHEMBL17161132 0.78 NOTUM (0.41) ALDH1A1L3MBTL1KDM4EKCNJ1
SCHEMBL29957248 0.78 NOTUM (0.41) ALDH1A1L3MBTL1KDM4EKCNJ1
SCHEMBL15331773 0.78 SYK (0.38) ALDH1A1L3MBTL1KDM4EKCNJ1

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