SCHEMBL29637217

SCHEMBL29637217

Nc1nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)ncc1C(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 11/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ GUCY1A1 Q02108 4/20 0.40
▸ GUCY1B1 Q02153 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 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
SCHEMBL23161972 1.00 BUB1 (0.45) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637214 0.89 BUB1 (0.49) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23162032 0.89 BUB1 (0.49) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637212 0.85 BUB1 (0.48) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161942 0.85 BUB1 (0.48) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL20534736 0.84 BUB1 (0.50) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161926 0.83 BUB1 (0.51) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29637235 0.83 BUB1 (0.51) BUB1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL23161996 0.83 BUB1 (0.46) BUB1ALDH1A1TSHRMAPT
SCHEMBL23162008 0.81 BUB1 (0.50) BUB1ADORA3KCNH2GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609883-B1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-06-29 — — EP disclosed
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