SCHEMBL29404247

SCHEMBL29404247

NC(=O)c1ccccc1-c1ncnn2cccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.46
▸ JAK2 O60674 12/20 0.45
▸ JAK1 P23458 11/20 0.44
▸ TYK2 P29597 10/20 0.44
▸ JAK3 P52333 8/20 0.43
▸ BCAT2 O15382 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12471777 0.78 MAP4K4 (0.62) MAP4K4JAK2JAK1TYK2
SCHEMBL14741484 0.77 PARP1 (0.45) JAK2JAK1TYK2JAK3BCAT2
SCHEMBL28709003 0.77 BCAT2 (0.41) MAP4K4JAK2JAK3BCAT2CSNK1A1
SCHEMBL16781320 0.75 CDC7 (0.53) JAK2JAK1TYK2
SCHEMBL14758243 0.75 MAP4K4 (0.42) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL30521626 0.74 IRAK4 (0.50) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL16781321 0.72 JAK2 (0.45) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL31356910 0.71 BCAT2 (0.47) JAK2BCAT2CSNK1A1TYRO3DYRK1B
SCHEMBL20567523 0.71 JAK2 (0.65) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3458337 0.71 JAK2 (0.46) JAK2JAK1TYK2JAK3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874491-B N-protected pyrrolotriazine carbon glycoside compound and preparation method thereof Shenzhen Antai weishengwu Pharmaceutical Co.,Ltd. (CN) 2026-05-26 — — CN disclosed
CN-116874491-A N-protected pyrrolotriazine carbon glycoside compound and preparation method thereof 深圳安泰维生物医药有限公司 2023-10-13 — — CN disclosed
CN-114105989-A Preparation method and application of iodo-pyrrolotriazine amine compound 中国科学院大连化学物理研究所 2022-03-01 — — CN disclosed
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