SCHEMBL29780853

SCHEMBL29780853

Nc1ncnc2c1c(Br)nn2CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.47
▸ KDR P35968 4/20 0.47
▸ JAK2 O60674 7/20 0.45
▸ JAK3 P52333 7/20 0.45
▸ JAK1 P23458 5/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ADK P55263 3/20 0.41
▸ BTK Q06187 1/20 0.41
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL29052236 0.80 JAK2 (0.46) RETKDRJAK2JAK3JAK1
SCHEMBL29780904 0.80 JAK2 (0.46) RETKDRJAK2JAK3JAK1
SCHEMBL20533043 0.80 CYP1A2 (0.61) RETKDRCYP1A2MAPK1KDM4E
SCHEMBL15826969 0.80 PIK3CD (0.51) RETKDRJAK2JAK3JAK1
SCHEMBL29052107 0.79 JAK2 (0.47) JAK2JAK3JAK1ADK
SCHEMBL29780975 0.79 JAK2 (0.47) JAK2JAK3JAK1ADK
SCHEMBL19732713 0.77 RET (0.60) RETKDRCYP1A2MAPK1KDM4E
SCHEMBL29052149 0.77 ADORA2A (0.49) RETKDRJAK2JAK3JAK1
SCHEMBL19476278 0.77 ADORA2A (0.49) RETKDRJAK2JAK3JAK1
SCHEMBL29781034 0.77 ADORA2A (0.49) RETKDRJAK2JAK3JAK1

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
WO-2022166610-A1 PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-08-11 — — WO disclosed
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