SCHEMBL28661998

SCHEMBL28661998

CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.69
KMT2A Q03164 12/20 0.69
MAPT P10636 6/20 0.69
NPSR1 Q6W5P4 6/20 0.69
LMNA P02545 6/20 0.69
TSHR P16473 5/20 0.69
HTT P42858 4/20 0.69
ALOX15 P16050 4/20 0.69
CASP1 P29466 4/20 0.69
MAPK1 P28482 3/20 0.69
GAA P10253 3/20 0.69
TP53 P04637 3/20 0.69
USP2 O75604 2/20 0.69
CASP7 P55210 2/20 0.69
TUBB4A P04350 2/20 0.66
TUBB P07437 2/20 0.66
TUBA3C P0DPH7 2/20 0.66
TUBA1B P68363 2/20 0.66
TUBA4A P68366 2/20 0.66
TUBB4B P68371 2/20 0.66

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
SCHEMBL30628033 1.00 MEN1 (0.69) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4333738 0.91 TUBB4A (0.69) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL30628022 0.89 POLB (0.73) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL28927732 0.89 MEN1 (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL28644827 0.89 POLB (0.73) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL30628023 0.89 MEN1 (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4330162 0.88 MEN1 (0.76) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL30628028 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL28650070 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4331607 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1LMNA

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-113620919-B Mechanical ball milling assisted synthesis method of 2-amino-3-cyano-4H-pyran compound 浙江工业大学 2023-12-12 CN disclosed
CN-113620919-A Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds 浙江工业大学 2021-11-09 CN disclosed