SCHEMBL28602004

SCHEMBL28602004

Cc1cccc(C(=O)NCCN2CCOCC2)c1C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
BCL3 P20749 2/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL28612189 0.91 TSHR (0.58) POLBKDM4EBCL3
SCHEMBL13164059 0.90 MEN1 (0.66) POLBMEN1KMT2ABCL3MAPK1
SCHEMBL280010 0.88 P2RX7 (0.59) POLBMEN1KMT2ABCL3
SCHEMBL28598516 0.87 NPSR1 (0.56) POLBMEN1KMT2ACYP2C9
SCHEMBL27362945 0.87 POLB (0.66) POLBKDM4EMAPK1CYP2C9CYP2C19
SCHEMBL28612306 0.85 KDM4E (0.53) KDM4EMEN1KMT2A
SCHEMBL45567 0.83 CYP2C9 (0.57) POLBMEN1KMT2ABCL3CYP2C9
SCHEMBL29849750 0.82 BCL3 (0.76) POLBKDM4EMEN1KMT2ABCL3
SCHEMBL16431474 0.82 BCL3 (0.76) POLBKDM4EMEN1KMT2ABCL3
SCHEMBL2362567 0.82 POLB (0.66) POLBKDM4EBCL3

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-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN claimed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed