SCHEMBL30671845

SCHEMBL30671845

C=C(C(N)=O)c1ccc2c(c1)c(C)cn2-c1nc(Nc2cnn(C)c2)ncc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.42
▸ ALK Q9UM73 2/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ JAK1 P23458 10/20 0.40
▸ JAK3 P52333 8/20 0.40
▸ TYK2 P29597 5/20 0.40
▸ KDR P35968 5/20 0.40
▸ AURKB Q96GD4 5/20 0.40
▸ JAK2 O60674 9/20 0.39
▸ GSK3B P49841 5/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ STAT3 P40763 3/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ CDC7 O00311 2/20 0.38
▸ DAPK3 O43293 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ PRKD3 O94806 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ PIM1 P11309 2/20 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
SCHEMBL29929573 0.84 TBK1 (0.42) TBK1ALKCDK19JAK1JAK3
SCHEMBL27240978 0.84 TBK1 (0.42) TBK1ALKCDK19JAK1JAK3
SCHEMBL26979795 0.82 JAK3 (0.49) JAK1JAK3JAK2
SCHEMBL29928848 0.80 CCNT1 (0.42) TBK1JAK1JAK3TYK2KDR
SCHEMBL27241032 0.80 CCNT1 (0.42) TBK1JAK1JAK3TYK2KDR
SCHEMBL29113541 0.75 JAK3 (0.40) JAK1JAK3TYK2AURKBJAK2
SCHEMBL29113546 0.74 LRRK2 (0.39) JAK1JAK3TYK2KDRJAK2
SCHEMBL29113535 0.74 LRRK2 (0.40) JAK1JAK3KDRJAK2SYK
SCHEMBL30671851 0.73 JAK2 (0.49) JAK3JAK2CDK2SYK
SCHEMBL29113559 0.73 JAK2 (0.49) JAK3JAK2CDK2SYK

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
CN-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 — — CN disclosed
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