SCHEMBL30516480

SCHEMBL30516480

OC1(C#Cc2ccc(N3CCOCC3)c(Nc3ncnc4[nH]ccc34)c2)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 16/20 1.00
JAK1 P23458 1/20 0.61
JAK3 P52333 1/20 0.61
TNK2 Q07912 1/20 0.61
NTRK3 Q16288 1/20 0.61
LRRK2 Q5S007 1/20 0.61
AURKB Q96GD4 1/20 0.61
TNNI3K Q59H18 2/20 0.56
BRAF P15056 1/20 0.56
TTBK1 Q5TCY1 2/20 0.49
TTBK2 Q6IQ55 2/20 0.49

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
SCHEMBL28646257 1.00 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL28636974 0.99 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL30516452 0.99 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL28639569 0.88 MAP3K14 (0.78) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL30516498 0.88 MAP3K14 (0.78) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL28641822 0.87 MAP3K14 (0.79) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL30516444 0.87 MAP3K14 (0.79) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL28636754 0.82 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL30516534 0.82 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL28641427 0.79 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794855-B Preparation method and application of N-aryl pyrimidine-4-amine derivative 中国药科大学 2023-07-28 CN claimed
CN-112794855-B Preparation method and application of N-aryl pyrimidine-4-amine derivative 中国药科大学 2023-07-28 CN disclosed