SCHEMBL2554367

SCHEMBL2554367

Cn1nc(-c2cc(F)cc(F)c2)c(C=O)c1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31

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
SCHEMBL15331899 0.85 ALDH1A1 (0.38) CYP1A2CYP3A4TSHRCLK4PIK3CA
SCHEMBL2563069 0.84 MAPK14 (0.41) ALDH1A1KMT2A
SCHEMBL2558730 0.83 SMN1; SMN2 (0.33) CYP1A2CYP2C9
SCHEMBL2552652 0.81 CYP1A2 (0.35) CYP1A2CYP3A4TSHRCLK4PIK3CD
SCHEMBL2553160 0.81 SMN1; SMN2 (0.38) CYP1A2MEN1KMT2ACYP2C9
SCHEMBL15330443 0.81 KDM4E (0.31) PIK3CDABL1EGFRHCKSRC
SCHEMBL2560213 0.81 CYP1A2 (0.36) CYP1A2CYP3A4TSHRPIK3CDABL1
SCHEMBL15329615 0.80
SCHEMBL15331614 0.79 CYP1B1 (0.37) CYP1A2CYP3A4PIK3CDABL1EGFR
SCHEMBL15329462 0.78 PTGS2 (0.45) CYP1A2CYP3A4TSHRALDH1A1MEN1

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