SCHEMBL24752676

SCHEMBL24752676

COc1cc(C(=O)NOCC(C)C)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.56
▸ MAPK3 P27361 3/20 0.55
▸ LRRK2 Q5S007 9/20 0.54
▸ PTK2 Q05397 4/20 0.54
▸ JAK2 O60674 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ TYK2 P29597 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ JAK3 P52333 1/20 0.53
▸ PTK2B Q14289 1/20 0.53
▸ NTRK3 Q16288 1/20 0.53
▸ NTRK2 Q16620 1/20 0.53
▸ ALK Q9UM73 3/20 0.51
▸ INSR P06213 2/20 0.51
▸ IGF1R P08069 2/20 0.51

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
SCHEMBL30001769 1.00 MAP4K1 (0.56) MAP4K1MAPK3LRRK2PTK2JAK2
SCHEMBL30001807 0.90 MAPK3 (0.65) MAP4K1MAPK3LRRK2PTK2JAK2
SCHEMBL24752748 0.90 MAPK3 (0.65) MAP4K1MAPK3LRRK2PTK2JAK2
SCHEMBL28969623 0.90 MAP4K1 (0.56) MAP4K1MAPK3LRRK2PTK2JAK2
SCHEMBL30001774 0.90 MAP4K1 (0.56) MAP4K1MAPK3LRRK2PTK2JAK2
SCHEMBL24752230 0.88 LRRK2 (0.57) MAP4K1MAPK3LRRK2PTK2ALK
SCHEMBL30002193 0.88 LRRK2 (0.57) MAP4K1MAPK3LRRK2PTK2ALK
SCHEMBL24752726 0.88 PTK2 (0.57) MAP4K1MAPK3PTK2JAK2NTRK1
SCHEMBL30002214 0.88 PTK2 (0.57) MAP4K1MAPK3PTK2JAK2NTRK1
SCHEMBL24752673 0.88 MAP4K1 (0.62) MAP4K1MAPK3LRRK2PTK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 — — CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 — — CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2023-10-13 — — CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 — — CN disclosed
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 — — WO disclosed
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