SCHEMBL29754113

SCHEMBL29754113

O=C(NC1CCNCC1)c1c[nH]c2ccc(-c3cccnc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.70
WNT1 P04628 14/20 0.70
NR4A2 P43354 1/20 0.61
HTR4 Q13639 1/20 0.59
KDM1A O60341 1/20 0.51

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
SCHEMBL28810251 1.00 DYRK1A (0.70) DYRK1AWNT1NR4A2HTR4KDM1A
SCHEMBL17095536 0.82 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL31123870 0.82 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL29754034 0.82 HTR4 (0.59) DYRK1AWNT1HTR4KDM1A
SCHEMBL28809209 0.82 HTR4 (0.59) DYRK1AWNT1HTR4KDM1A
SCHEMBL23533891 0.81 HTR4 (0.56) DYRK1AWNT1HTR4KDM1A
SCHEMBL29753901 0.81 HTR4 (0.56) DYRK1AWNT1HTR4KDM1A
SCHEMBL15615178 0.80 DYRK1A (0.65) DYRK1AWNT1
SCHEMBL28809778 0.78 HTR4 (0.60) DYRK1AWNT1HTR4KDM1A
SCHEMBL29753960 0.78 HTR4 (0.60) DYRK1AWNT1HTR4KDM1A

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