SCHEMBL29552999

SCHEMBL29552999

O=C(O)c1nnc(Cl)cc1Nc1ccc(N2CCOCC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.57
▸ JAK2 O60674 4/20 0.57
▸ JAK1 P23458 4/20 0.57
▸ JAK3 P52333 3/20 0.57
▸ AKR1C3 P42330 1/20 0.46
▸ CCND3 P30281 2/20 0.45
▸ CDK6 Q00534 2/20 0.45
▸ CCNK O75909 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ LYN P07948 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ BTK Q06187 1/20 0.41

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
SCHEMBL28359418 0.89 TYK2 (0.54) TYK2JAK2JAK1JAK3AKR1C3
SCHEMBL29552398 0.85 JAK2 (0.54) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL28359245 0.81 TYK2 (0.85) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL29552260 0.79 MAPT (0.52) DGAT1MAPT
SCHEMBL29922674 0.74 INSR (0.45) TYK2JAK2JAK1JAK3MAPT
SCHEMBL28358963 0.74 INSR (0.45) TYK2JAK2JAK1JAK3MAPT
SCHEMBL28359240 0.74 JAK2 (0.52) TYK2JAK2JAK1JAK3MAPT
SCHEMBL29922581 0.74 JAK2 (0.52) TYK2JAK2JAK1JAK3MAPT
SCHEMBL21384014 0.73 TYK2 (0.63) TYK2JAK2JAK1JAK3CCND3
SCHEMBL29551893 0.73 MEN1 (0.40) TYK2JAK2JAK1SYK

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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