SCHEMBL15330798

SCHEMBL15330798

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RIPK2 O43353 2/20 0.34
LMNA P02545 2/20 0.34
DAPK3 O43293 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34
LYN P07948 1/20 0.34
HCK P08631 1/20 0.34
PDGFRB P09619 1/20 0.34
FGR P09769 1/20 0.34
CYP2C9 P11712 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
EPHB2 P29323 1/20 0.34
CYP2C19 P33261 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
SCHEMBL15331376 0.89 ALDH1A1 (0.36) ALDH1A1RIPK2LMNADAPK3ABL1
SCHEMBL2557902 0.86 ALDH1A1 (0.44) ALDH1A1RIPK2LMNADAPK3ABL1
SCHEMBL15331156 0.86 RIPK2 (0.46) ALDH1A1RIPK2LMNADAPK3ABL1
SCHEMBL15330414 0.85 LMNA (0.40) ALDH1A1LMNACYP1A2CDK5SMN1; SMN2
SCHEMBL15332148 0.85 RIPK2 (0.43) ALDH1A1RIPK2LMNADAPK3ABL1
SCHEMBL15331780 0.84 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2RETKDM4E
SCHEMBL15333135 0.83 PTGS2 (0.40) ALDH1A1RIPK2LMNADAPK3ABL1
SCHEMBL29954930 0.83 MEN1 (0.42) ALDH1A1LMNACYP1A2CYP2C19DYRK1A
SCHEMBL29957438 0.83 SRC (0.42) ALDH1A1RIPK2LMNADAPK3ABL1
SCHEMBL15331969 0.82 SMN1; SMN2 (0.45) ALDH1A1RIPK2LMNADAPK3ABL1

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