SCHEMBL2561001

SCHEMBL2561001

Nc1ncc(-c2ccc(C=O)cc2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.48
TBK1 Q9UHD2 2/20 0.48
MAP4K4 O95819 13/20 0.47
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
PRKCI P41743 1/20 0.45
PIK3CB P42338 1/20 0.43
CHEK2 O96017 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL18616712 0.88 PIK3CB (0.56) IKBKETBK1MAP4K4AXLMERTK
SCHEMBL2563039 0.84 TRIM24 (0.52) IKBKETBK1MAP4K4AXLPRKCI
SCHEMBL2555138 0.83 ALDH1A1 (0.46) IKBKETBK1MAP4K4
SCHEMBL2557326 0.82 LMNA (0.44) MAP4K4AXLGFERKMT2A
SCHEMBL11010961 0.81 MAP4K4 (0.65) IKBKETBK1MAP4K4
SCHEMBL2558781 0.79 MAP4K4 (0.55) IKBKETBK1MAP4K4CHEK2MKNK1
SCHEMBL2554054 0.78 DHODH (0.43) MAP4K4AXLMERTK
SCHEMBL14059495 0.78 PRKCI (0.74) IKBKETBK1PRKCI
SCHEMBL15330144 0.78 KMT2A (0.72) KDM4EGFERKMT2ARXFP1
SCHEMBL29953670 0.78 KMT2A (0.72) KDM4EGFERKMT2ARXFP1

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