SCHEMBL31095263

SCHEMBL31095263

O=[N+]([O-])c1cn(-c2cccc(F)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KMT2A Q03164 2/20 0.41
PMM2 O15305 1/20 0.38
MPI P34949 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOTUM Q6P988 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL25215053 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BKMT2APMM2
SCHEMBL25202981 0.84 HTR2A (0.48) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL4166591 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BKMT2AKEAP1
SCHEMBL29614959 0.82 KEAP1 (0.53) HTR2AHTR2CHTR2BKMT2ANOTUM
SCHEMBL15976503 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BKEAP1NFE2L2
SCHEMBL44782 0.82 KEAP1 (0.53) HTR2AHTR2CHTR2BKMT2ANOTUM
SCHEMBL17632850 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL19031388 0.81 HTR2A (0.57) HTR2AHTR2CHTR2BKMT2AKEAP1
SCHEMBL25199877 0.81 HTR2A (0.51) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL31095350 0.81 HTR2A (0.51) HTR2AHTR2CHTR2BCYP1A2CYP2C19

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-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed