SCHEMBL2561745

SCHEMBL2561745

Cc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(B(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.39
MAPK1 P28482 1/20 0.35
AHR P35869 1/20 0.35
KMT2A Q03164 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32

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
SCHEMBL2559651 0.78 ALDH1A1 (0.42) MAPK1KMT2A
SCHEMBL114106 0.72 CCR1 (0.35) SMOKMT2ACCR1CCR5CCR8
SCHEMBL29911650 0.72 CCR1 (0.35) SMOKMT2ACCR1CCR5CCR8
SCHEMBL2553208 0.72 AHR (0.34) SMOMAPK1AHR
SCHEMBL2556094 0.70 MAPK1 (0.35) MAPK1AHR
SCHEMBL2558046 0.70 MAPT (0.39) MAPK1AHRKMT2A
SCHEMBL29954721 0.69 ADRA2A (0.33) KMT2ACCR1CCR5CCR8
SCHEMBL21352370 0.69 PDK2 (0.40) KMT2ACCR1CCR5CCR8
SCHEMBL2557977 0.68 AHR (0.33) SMOMAPK1AHR
SCHEMBL27194772 0.68 CCR1 (0.38) CCR1CCR5CCR8

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