SCHEMBL2557902

SCHEMBL2557902

CC(C)(C)n1nc(-c2ccc(F)cc2)c(C=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
PTGS2 P35354 7/20 0.36
MAPK14 Q16539 3/20 0.36
CSNK1D P48730 2/20 0.36
RIPK2 O43353 2/20 0.36
DAPK3 O43293 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
CYP1A2 P05177 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
YES1 P07947 1/20 0.36
LYN P07948 1/20 0.36
HCK P08631 1/20 0.36

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
SCHEMBL15331156 0.88 RIPK2 (0.46) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15332148 0.87 RIPK2 (0.43) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15330798 0.86 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15331550 0.86 RIPK2 (0.32) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15331376 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15333135 0.86 PTGS2 (0.40) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL29957438 0.85 SRC (0.42) ALDH1A1SMN1; SMN2LMNAPTGS2MAPK14
SCHEMBL15331676 0.85 RIPK2 (0.38) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15331969 0.84 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL15331051 0.84 TYR (0.38) ALDH1A1SMN1; SMN2KDM4EHTTLMNA

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