SCHEMBL6741353

SCHEMBL6741353

CC(C)(C)OC(=O)N1CCN(c2ccc(NO)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TSHR P16473 1/20 0.55
▸ GPR119 Q8TDV5 6/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ TGM1 P22735 1/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ CYP2C19 P33261 1/20 0.48
▸ CKS1B P61024 1/20 0.48
▸ SKP1 P63208 1/20 0.48
▸ SKP2 Q13309 1/20 0.48
▸ PDK2 Q15119 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL23047380 0.90 WNT3A (0.57) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22812969 0.88 WNT3A (0.55) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28907538 0.88 WNT3A (0.63) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4065096 0.87 WNT3A (0.55) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29020664 0.86 WNT3A (0.58) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4069752 0.86 WNT3A (0.58) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30385839 0.86 WNT3A (0.58) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18661912 0.86 WNT3A (0.54) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17675597 0.85 WNT3A (0.62) WNT3ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27315749 0.85 WNT3A (0.55) WNT3ASMN1; SMN2MAPTMEN1KMT2A

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-3753933-A1 SUCCINATE SALT OF 7-CYCLOPENTYL-2 -(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF Novartis AG (CH) 2020-12-23 — — EP disclosed
WO-2012064805-A1 SALT(S) OF 7-CYCLOPENTYL-2 -(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF NOVARTIS AG (CH) 2012-05-18 — — WO disclosed
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