SCHEMBL31497685

SCHEMBL31497685

CCc1nc2cnc(Br)cn2c1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.34
PARP1 P09874 1/20 0.32
HDAC1 Q13547 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16324457 0.75 HDAC1 (0.30) HDAC1
SCHEMBL16323148 0.75
SCHEMBL21527333 0.73 ALDH1A1 (0.56) TGFBR1CYP3A4CYP2C9CYP2C19
SCHEMBL16324458 0.72 HDAC1 (0.32) HDAC1
SCHEMBL16364957 0.71 HDAC1 (0.34) TGFBR1HDAC1
SCHEMBL18357661 0.70 SLC22A12 (0.38) TGFBR1CYP3A4CYP2C9CYP2C19
SCHEMBL16364940 0.70 ENPP2 (0.31)
SCHEMBL23099477 0.69 ALDH1A1 (0.34) CYP3A4CYP2C9CYP2C19
SCHEMBL18357705 0.68 KMT2A (0.37) HDAC1CYP3A4CYP2C9CYP2C19
SCHEMBL16365220 0.67 POLB (0.39)

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-119490501-A Imidazole bicyclic compounds, preparation method and application thereof 合肥医工医药股份有限公司 2025-02-21 CN disclosed