SCHEMBL29020664

SCHEMBL29020664

CNC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.58
▸ MAPT P10636 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ F13A1 P00488 1/20 0.52
▸ TGM2 P21980 1/20 0.52
▸ TGM1 P22735 1/20 0.52
▸ GPR119 Q8TDV5 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ CYP2C19 P33261 1/20 0.45
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ PDK2 Q15119 1/20 0.44

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
SCHEMBL30385839 1.00 WNT3A (0.58) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24483274 0.89 WNT3A (0.57) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28907538 0.88 WNT3A (0.63) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23047380 0.88 WNT3A (0.57) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4069752 0.86 WNT3A (0.58) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6741353 0.86 WNT3A (0.57) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17675597 0.85 WNT3A (0.62) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22812969 0.84 WNT3A (0.55) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4065096 0.83 WNT3A (0.55) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30385836 0.83 WNT3A (0.55) WNT3AMAPTSMN1; SMN2MEN1KMT2A

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
CN-115919859-B Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine 四川海思科制药有限公司 2024-01-05 — — CN disclosed
CN-115919859-A Pharmaceutical composition of heteroaryl derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-07 — — CN disclosed
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