SCHEMBL21761014

SCHEMBL21761014

CCOC(=O)C(C)(C)c1nn2cc(C)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CNR2 P34972 3/20 0.35
GAA P10253 1/20 0.34
F2RL3 Q96RI0 7/20 0.33
PPOX P50336 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL23585579 0.86 F2RL3 (0.34) F2RL3
SCHEMBL21761020 0.80 NPC1 (0.36) MEN1MAPTKMT2AF2RL3
SCHEMBL21761011 0.76 F2RL3 (0.35) MAPTF2RL3
SCHEMBL21761041 0.76 F2RL3 (0.39) F2RL3
SCHEMBL8686099 0.75 F2RL3 (0.40) F2RL3
SCHEMBL34472205 0.74 F2RL3 (0.40) MEN1MAPTKMT2AF2RL3
SCHEMBL21760987 0.74 ALDH1A1 (0.41) MEN1MAPTPKMHTTKMT2A
SCHEMBL21760998 0.73 MAPK1 (0.36) MEN1MAPTPKMHTTKMT2A
SCHEMBL15349923 0.72 F2RL3 (0.44) KMT2AGAAF2RL3
SCHEMBL634381 0.72 SSTR4 (0.40) MEN1MAPTKMT2ACNR2ALDH1A1

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-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed