SCHEMBL28809209

SCHEMBL28809209

O=C(NC1CCNCC1)c1c[nH]c2ccc(-c3ccnc(F)c3)cc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.59
KDM1A O60341 4/20 0.51
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
DYRK1A Q13627 7/20 0.47
WNT1 P04628 4/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
BACE1 P56817 1/20 0.43
TDO2 P48775 1/20 0.42

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
SCHEMBL29754034 1.00 HTR4 (0.59) HTR4KDM1AALDH1A1KMT2ADYRK1A
SCHEMBL23533891 0.83 HTR4 (0.56) HTR4KDM1AALDH1A1KMT2ADYRK1A
SCHEMBL29753901 0.83 HTR4 (0.56) HTR4KDM1AALDH1A1KMT2ADYRK1A
SCHEMBL29753894 0.82 DYRK1A (0.68) DYRK1AWNT1
SCHEMBL23533931 0.82 DYRK1A (0.68) DYRK1AWNT1
SCHEMBL28810251 0.82 DYRK1A (0.70) HTR4KDM1ADYRK1AWNT1
SCHEMBL29754113 0.82 DYRK1A (0.70) HTR4KDM1ADYRK1AWNT1
SCHEMBL10784335 0.81 HTR4 (0.69) HTR4KDM1AALDH1A1KMT2ATDO2
SCHEMBL28809778 0.80 HTR4 (0.60) HTR4KDM1AALDH1A1KMT2ADYRK1A
SCHEMBL29753960 0.80 HTR4 (0.60) HTR4KDM1AALDH1A1KMT2ADYRK1A

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-114867718-A Novel indazole derivative and use thereof 韩国化学研究院 2022-08-05 CN disclosed