SCHEMBL30323218

SCHEMBL30323218

CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MAP4K4 O95819 1/20 0.46
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
PTPN11 Q06124 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CA P42336 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22712289 1.00 KIT (0.47) KITSMARCA2SMARCA4PBRM1MAP4K4
SCHEMBL2366669 0.88 KIT (0.47) KITCKS1BSKP1SKP2PTPN11
SCHEMBL30323222 0.86 KIT (0.48) KITSMARCA2SMARCA4PBRM1MAP4K4
SCHEMBL908053 0.86 RET (0.49) KITCKS1BSKP1SKP2KDM4E
SCHEMBL22712188 0.86 KIT (0.48) KITSMARCA2SMARCA4PBRM1MAP4K4
SCHEMBL20293622 0.86 KIT (0.46) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL18837988 0.85 MEN1 (0.53) KITCKS1BSKP1SKP2GPR119
SCHEMBL111360 0.85 KIT (0.47) KITSMARCA2SMARCA4PBRM1MAP4K4
SCHEMBL9999452 0.85 GPR119 (0.50) KITCKS1BSKP1SKP2GPR119
SCHEMBL15599325 0.84 TLR9 (0.50) KITCKS1BSKP1SKP2GPR119

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
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed