SCHEMBL15329609

SCHEMBL15329609

O=Cc1c(-c2ccccc2Cl)nn(-c2cc(F)ccc2F)c1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RIPK1 Q13546 1/20 0.36
HSD11B1 P28845 1/20 0.36
DGAT2 Q96PD7 9/20 0.35
TP53 P04637 1/20 0.34
KCNN4 O15554 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL2556054 0.91 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2557720 0.90 TP53 (0.40) ESR1TP53KCNN4
SCHEMBL15329947 0.88 KCNN4 (0.44) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2555658 0.86 P2RX7 (0.37) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2560310 0.86 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2558574 0.86 MAPK11 (0.39) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL15332298 0.86 ESR1 (0.40) ESR1RIPK1TP53IDO1TDO2
SCHEMBL2553216 0.85 ESR1 (0.37) ESR1RIPK1TP53KCNN4
SCHEMBL15331283 0.84 ESR1 (0.42) MAPK13MAPK12MAPK11MAPK14ESR1
SCHEMBL2559073 0.84 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14TP53

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 5 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