SCHEMBL30626329

SCHEMBL30626329

COc1nccc(-c2ccncc2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ INCENP Q9NQS7 1/20 0.45
▸ SQOR Q9Y6N5 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL29501236 0.78 BTK (0.50) AURKATTKAURKBINCENPSQOR
SCHEMBL15671831 0.76 DYRK1A (0.46) MAPTIKBKBDYRK1AALDH1A1PDGFRB
SCHEMBL27415512 0.76 IKBKB (0.41) SQORMAPTIKBKBDYRK1ANPC1
SCHEMBL28308744 0.76 KDM4E (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29869241 0.74 IKBKB (0.43) MAPTIKBKBDYRK1ANPC1RAB9A
SCHEMBL13144468 0.72 SQOR (0.57) AURKBSQORMAPTIKBKBDYRK1A
SCHEMBL28635180 0.72 KMT2A (0.50) AURKBSQORMAPTIKBKBDYRK1A
SCHEMBL26361648 0.71 MAOA (0.41) AURKATTKAURKBINCENPDYRK1A
SCHEMBL3504054 0.71 ALDH1A1 (0.40) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL1423554 0.70 SQOR (0.46) SQORMAPTIKBKBNPC1RAB9A

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-119463170-A Preparation method and application of triazinyl ionic organic polymer 昆明理工大学 2025-02-18 — — CN disclosed
CN-116854933-A Zn-MOF material containing lithium element, solid electrolyte and battery using same 湖北亿纬动力有限公司 2023-10-10 — — CN disclosed
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