SCHEMBL29552914

SCHEMBL29552914

CN1CCN(c2ccc(Nc3cnnc(-c4c(F)cccc4F)c3)nc2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.48
▸ JAK2 O60674 7/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ FLT3 P36888 1/20 0.37
▸ WEE1 P30291 2/20 0.36
▸ CTSC P53634 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ BTK Q06187 2/20 0.36
▸ SRC P12931 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
SCHEMBL28359094 0.81 TYK2 (0.74) TYK2JAK2JAK1JAK3
SCHEMBL29552977 0.73 CTSC (0.41) TYK2JAK2JAK1JAK3CTSC
SCHEMBL29552080 0.72 MAPT (0.42) TYK2JAK2JAK1JAK3
SCHEMBL29552531 0.70 JAK2 (0.43) TYK2JAK2JAK1JAK3WEE1
SCHEMBL29551980 0.68 TYK2 (0.57) TYK2JAK2JAK1JAK3
SCHEMBL28362685 0.68 TYK2 (0.57) TYK2JAK2JAK1JAK3
SCHEMBL5158713 0.68 SLC6A2 (0.37) TYK2JAK2JAK1JAK3FLT3
SCHEMBL4898764 0.68 CDK4 (0.39) TYK2FLT3WEE1CCNT1CDK4
SCHEMBL1393493 0.67 BTK (0.40) FLT3CCNT1CDK4CCND1CCND3
SCHEMBL29551761 0.67 TYK2 (0.57) TYK2JAK2JAK1JAK3WEE1

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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