SCHEMBL28522100

SCHEMBL28522100

O=[N+]([O-])c1ccccc1Nc1cc(-c2cccnc2F)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
EPAS1 Q99814 1/20 0.44
EGFR P00533 1/20 0.43
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP7 P55210 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 3/20 0.39

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
SCHEMBL28515277 0.85 EPAS1 (0.46) CDK4CDK2MEN1KMT2AEPAS1
SCHEMBL28516641 0.83 MAPK10 (0.48) CDK4CDK2MEN1KMT2AEPAS1
SCHEMBL28516643 0.76 FGFR4 (0.60) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL16654477 0.74 ABCG2 (0.46) CDK4CDK2MEN1KMT2AEPAS1
SCHEMBL16654895 0.74 MAPT (0.55) CDK4CDK2MEN1KMT2AEPAS1
SCHEMBL28523405 0.74 EPAS1 (0.52) CDK4CDK2MEN1KMT2AEPAS1
SCHEMBL28613042 0.73 EGFR (0.50) CDK4CDK2MEN1KMT2AEPAS1
SCHEMBL7778637 0.72 ALDH1A1 (0.54) MEN1KMT2AEPAS1EGFRMAPT
SCHEMBL2261930 0.72 CYP1A2 (0.60) CDK2MEN1KMT2AMAPTMAPK1
SCHEMBL29889652 0.72 CYP1A2 (0.60) CDK2MEN1KMT2AMAPTMAPK1

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-112341431-A Heterocyclic compounds as FGFR4 inhibitors 齐鲁制药有限公司 2021-02-09 CN disclosed