SCHEMBL29551832

SCHEMBL29551832

Fc1cccc(F)c1-c1cc(Nc2cnn(CC3CNC3)c2)cnn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.37
▸ RORC P51449 5/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ MET P08581 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ MAPK7 Q13164 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL28359066 0.80 TYK2 (0.49) TYK2RORCJAK2JAK1JAK3
SCHEMBL29552318 0.71 MAPK6 (0.43) RORCJAK2JAK1JAK3MAPK7
SCHEMBL28362626 0.68 JAK1 (0.49) TYK2RORCJAK2JAK1JAK3
SCHEMBL29552173 0.67 TYK2 (0.48) TYK2RORCJAK2JAK1JAK3
SCHEMBL29922902 0.64 JAK1 (0.41) TYK2JAK2JAK1JAK3PIM1
SCHEMBL25268365 0.61 BTK (0.42) TYK2JAK2JAK1JAK3BTK
SCHEMBL29552977 0.60 CTSC (0.41) TYK2JAK2JAK1JAK3
SCHEMBL31108128 0.59 ALDH1A1 (0.39) MET
SCHEMBL18765045 0.59 SLC40A1 (0.65) —
SCHEMBL29552080 0.58 MAPT (0.42) TYK2RORCJAK2JAK1JAK3

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-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 — — WO disclosed
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