SCHEMBL30184282

SCHEMBL30184282

CNC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3I)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.64
▸ AURKA O14965 1/20 0.61
▸ ULK1 O75385 2/20 0.59
▸ MAPK9 P45984 2/20 0.58
▸ MAPK10 P53779 2/20 0.58
▸ PTK2B Q14289 2/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ INSR P06213 1/20 0.58
▸ IGF1R P08069 1/20 0.58
▸ PKMYT1 Q99640 1/20 0.58
▸ SLC2A1 P11166 1/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ ALK Q9UM73 2/20 0.57
▸ HDAC3 O15379 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ NTRK1 P04629 1/20 0.55
▸ TYK2 P29597 1/20 0.55
▸ KDR P35968 1/20 0.55

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
SCHEMBL24752984 1.00 PTK2 (0.64) PTK2AURKAULK1MAPK9MAPK10
SCHEMBL28969662 0.89 MAPK9 (0.58) PTK2AURKAMAPK9MAPK10HDAC1
SCHEMBL30184147 0.88 AURKA (0.78) PTK2AURKAMAPK9MAPK10HDAC1
SCHEMBL24752709 0.88 AURKA (0.78) PTK2AURKAMAPK9MAPK10HDAC1
SCHEMBL30002225 0.87 JAK2 (0.64) PTK2AURKAULK1MAPK9MAPK10
SCHEMBL28969570 0.84 ALK (0.56) PTK2AURKAMAPK9MAPK10HDAC1
SCHEMBL24752248 0.84 PTK2 (0.60) PTK2AURKAULK1MAPK9MAPK10
SCHEMBL24752988 0.83 PTK2 (0.59) PTK2AURKAULK1MAPK9MAPK10
SCHEMBL28969574 0.83 PTK2 (0.60) PTK2AURKAULK1MAPK9MAPK10
SCHEMBL19831455 0.82 AURKA (0.63) PTK2AURKAULK1MAPK9MAPK10

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 4 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
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