SCHEMBL29829152

SCHEMBL29829152

C=CC(=O)N1CCC2(CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.47
TET3 O43151 7/20 0.47
FBXL19 Q6PCT2 7/20 0.47
CXXC5 Q7LFL8 7/20 0.47
KDM2B Q8NHM5 7/20 0.47
CXXC4 Q9H2H0 7/20 0.47
KDM2A Q9Y2K7 7/20 0.47
TET1 Q8NFU7 5/20 0.47
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP1A2 P05177 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
SPR P35270 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL19889017 0.84 HSD11B1 (0.46) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL29724136 0.82 GRM5 (0.47) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL29724127 0.81 TET3 (0.38) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL20849781 0.81 TET3 (0.45) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL25870417 0.80 KMT2A (0.43) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL167151 0.79 TET3 (0.47) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL237862 0.79
SCHEMBL20547259 0.79 TET3 (0.47) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL12764449 0.79 TET3 (0.47) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL17150549 0.77 TET3 (0.43) KMT2ATET3FBXL19CXXC5KDM2B

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-114853739-B Acetylenic pyrazine FGFR inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2023-09-22 CN disclosed
CN-114853739-A Alkynyl pyrazine FGFR inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2022-08-05 CN disclosed