SCHEMBL30459652

SCHEMBL30459652

COc1cc(OC)c2cnc(-c3ccc(N4CCNCC4)cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.54
ACVR1 Q04771 11/20 0.51
ACVR1B P36896 3/20 0.49
ADRB1 P08588 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
BMPR1A P36894 2/20 0.47
ACVRL1 P37023 2/20 0.47
RIPK2 O43353 1/20 0.47
IL2 P60568 1/20 0.47
MAP4K1 Q92918 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
BMPR1B O00238 1/20 0.47
ABL1 P00519 1/20 0.47
ADRA2A P08913 1/20 0.47

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
SCHEMBL15328156 1.00 TGFBR1 (0.54) TGFBR1ACVR1ACVR1BADRB1HTR3E
SCHEMBL15328365 0.96 CHRNB2 (0.51) TGFBR1ACVR1ACVR1BADRB1HTR3E
SCHEMBL1304918 0.89 MTOR (0.52) TGFBR1ACVR1IL2MAP4K1PIM1
SCHEMBL17550807 0.85 ADRB1 (0.45) TGFBR1ACVR1ACVR1BADRB1KCNH2
SCHEMBL617761 0.84 TGFBR1 (0.48) TGFBR1ACVR1MAP4K1DDR1KCNH2
SCHEMBL618561 0.83 MAP4K1 (0.49) TGFBR1ACVR1MAP4K1
SCHEMBL615975 0.82 EHMT2 (0.40) TGFBR1PIM1ABL1
SCHEMBL1304390 0.82 PDGFRB (0.51)
SCHEMBL619713 0.80 ACHE (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15327927 0.80 ACVR1 (0.47) TGFBR1ACVR1ACVR1BBMPR1AACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed