SCHEMBL29552977

SCHEMBL29552977

CN1CCN(c2cnc(Nc3cnnc(-c4c(F)cccc4F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 4/20 0.41
▸ MAP4K1 Q92918 8/20 0.41
▸ HTR3A P46098 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ ALK Q9UM73 1/20 0.36

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
SCHEMBL28884124 0.79 TYK2 (0.51) MAP4K1BRD4CCNKCCND3CDK9
SCHEMBL28358862 0.78 JAK2 (0.62) MAP4K1CDK9CDK6JAK2JAK1
Hydrochloric Acid SCHEMBL28362697 0.77 JAK2 (0.61) MAP4K1CDK9CDK6JAK2JAK1
SCHEMBL28359109 0.77 JAK2 (0.50) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29552282 0.77 JAK2 (0.50) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29922646 0.76 BRD4 (0.36) CTSCMAP4K1HTR3ABRD4CCNK
Hydrochloric Acid SCHEMBL29922747 0.75 JAK2 (0.42) MAP4K1CDK9CDK6JAK2JAK1
SCHEMBL29552914 0.73 TYK2 (0.48) CTSCCCND3CDK9CDK6JAK2
SCHEMBL29552318 0.70 MAPK6 (0.43) CDK6JAK2JAK1JAK3NTRK1
SCHEMBL27306274 0.64 HTR3A (0.50) MAP4K1HTR3A

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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