SCHEMBL31044591

SCHEMBL31044591

OCC#Cc1cncc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.48
ALDH1A1 P00352 2/20 0.44
MELK Q14680 1/20 0.44
CHRNB2 P17787 2/20 0.40
CHRNA3 P32297 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
MAPK14 Q16539 2/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL22031562 1.00 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL31044618 0.81 GRM5 (0.35) GRM5CHRNB2HCAR2CHRNA4NPC1
SCHEMBL17657690 0.81 GRM5 (0.36) GRM5CHRNB2HCAR2CHRNA4
SCHEMBL28412023 0.81 GRM5 (0.35) GRM5CHRNB2HCAR2CHRNA4NPC1
SCHEMBL6786135 0.77 ALDH1A1 (0.38) GRM5ALDH1A1MELKKCNJ5KCNJ3
SCHEMBL32665923 0.77 GRM5 (0.55) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL30750480 0.77 GRM5 (0.51) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL29170155 0.77 GRM5 (0.51) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL4284069 0.77 GRM5 (0.55) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL3722709 0.77 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743457-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR THERAPEUTIC USE 4M THERAPEUTICS INC. (US) 2026-05-20 EP disclosed
WO-2025015045-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR THERAPEUTIC USE 4M THERAPEUTICS INC. (US) 2025-01-16 WO disclosed
CN-111285873-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed