SCHEMBL28709003

SCHEMBL28709003

NC(=O)c1ccccc1-c1ncnn2c(I)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.41
▸ CSNK1A1 P48729 2/20 0.40
▸ TYRO3 Q06418 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ PIK3CD O00329 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ DAPK3 O43293 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35

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
SCHEMBL29404247 0.77 MAP4K4 (0.46) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL30873321 0.74 TGFBR1 (0.32) PIK3CDTGFBR1
SCHEMBL27647695 0.68 BCAT2 (0.47) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL27807772 0.67 BCAT2 (0.46) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL210767 0.66 BCAT2 (0.74) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL30514077 0.66 BCAT2 (0.74) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL1110181 0.64 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL31012518 0.64 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
Hydrochloric Acid SCHEMBL16463881 0.64 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL4612903 0.64 PARP1 (0.50) BCAT2CSNK1A1TYRO3DYRK1BNUDT1

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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