SCHEMBL29124698

SCHEMBL29124698

N#Cc1cncc(N2C[CH]CCC2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 2/20 0.31
AR P10275 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL30811650 0.70 POLB (0.44) CNR2CNR1L3MBTL1TDP1POLB
SCHEMBL29124749 0.70 CHKA (0.35) L3MBTL1POLBALDH1A1
SCHEMBL25252910 0.69 JAK2 (0.38)
SCHEMBL25252907 0.69 JAK2 (0.38)
SCHEMBL23291787 0.68 CSNK1A1 (0.40) TDP1CYP11B1CYP11B2ALDH1A1MAPK1
SCHEMBL29124807 0.66 CHKA (0.38) CNR2L3MBTL1POLBALDH1A1
SCHEMBL25249403 0.65 GPR119 (0.53) POLB
SCHEMBL30811832 0.65 POLB (0.39) L3MBTL1TDP1POLBALDH1A1KDM4E
SCHEMBL29124644 0.64
SCHEMBL4068610 0.63 ADRB1 (0.48) L3MBTL1POLBALDH1A1KDM4E

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-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed