SCHEMBL28572420

SCHEMBL28572420

c1coc(-c2nc3cnccc3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ILK Q13418 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ ADORA1 P30542 7/20 0.41
▸ ADORA2B P29275 7/20 0.41
▸ ADORA3 P0DMS8 5/20 0.40
▸ ADORA2A P29274 5/20 0.40
▸ BCHE P06276 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40

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
SCHEMBL2222770 0.80 ILK (0.60) ALDH1A1MEN1LMNAMAPTHPGD
SCHEMBL30943961 0.75 PIK3R1 (0.39) ALDH1A1MEN1LMNAMAPTHPGD
SCHEMBL28561310 0.73 NPC1 (0.54) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL29606206 0.73 RAB9A (0.64) ALDH1A1MEN1LMNAMAPTHPGD
SCHEMBL26833283 0.73 RAB9A (0.64) ALDH1A1MEN1LMNAMAPTHPGD
SCHEMBL23458507 0.73 RAB9A (0.68) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL20519963 0.72 RAB9A (0.76) ALDH1A1LMNASMN1; SMN2HSD17B10ILK
SCHEMBL28567164 0.72 ILK (0.41) ALDH1A1MEN1LMNAMAPTHPGD
SCHEMBL23926532 0.71 MAPT (0.59) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL28560913 0.71 ADORA3 (0.46) ALDH1A1MEN1LMNAMAPTHPGD

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
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 — — CN disclosed
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