SCHEMBL29699175

SCHEMBL29699175

COc1ccc(CN(C)c2cc3nc(C)c(-c4cc(N)c(F)cc4F)cc3cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
DHFR P00374 4/20 0.38
ADORA2A P29274 1/20 0.36
CHRNA7 P36544 1/20 0.36
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
CACNA1C Q13936 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL15289526 1.00 ALDH1A1 (0.42) ALDH1A1DHFRADORA2ACHRNA7GRM8
SCHEMBL15289530 0.94 ALDH1A1 (0.41) ALDH1A1DHFRADORA2ACHRNA7HDAC3
SCHEMBL24458119 0.92 ALDH1A1 (0.40) ALDH1A1DHFRADORA2ACHRNA7GRM8
SCHEMBL15289531 0.89 ALDH1A1 (0.39) ALDH1A1DHFRADORA2ACHRNA7GRM8
SCHEMBL15272719 0.88 ALDH1A1 (0.43) ALDH1A1DHFRADORA2ACHRNA7GRM2
SCHEMBL24457787 0.87 ALDH1A1 (0.42) ALDH1A1DHFRADORA2ACHRNA7HDAC3
SCHEMBL30236966 0.86 ALDH1A1 (0.40) ALDH1A1DHFRADORA2ACHRNA7GRM8
SCHEMBL24457786 0.86 ALDH1A1 (0.40) ALDH1A1DHFRADORA2ACHRNA7GRM8
SCHEMBL16632381 0.84 KDR (0.39) ALDH1A1GRM8GRM6CACNA1CGRM2
SCHEMBL15289527 0.84 ALDH1A1 (0.37) ALDH1A1DHFRADORA2ACHRNA7GRM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247795-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2023-09-27 EP disclosed
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed