SCHEMBL30753600

SCHEMBL30753600

Nc1cccc2ccn(-c3nc(Cl)ncc3F)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 5/20 0.52
▸ MAPT P10636 8/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RPS6KA4 O75676 1/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31

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
SCHEMBL22556978 1.00 RPS6KA5 (0.52) RPS6KA5MAPTSMN1; SMN2RPS6KA4ABL1
SCHEMBL30753606 0.79 RPS6KA5 (0.47) RPS6KA5MAPTSMN1; SMN2POLB
SCHEMBL22557590 0.79 RPS6KA5 (0.47) RPS6KA5MAPTSMN1; SMN2POLB
SCHEMBL5090434 0.77 RPS6KA5 (0.68) RPS6KA5MAPTSMN1; SMN2RPS6KA4MKNK1
SCHEMBL19533518 0.69 MKNK1 (0.49) RPS6KA5MAPTSMN1; SMN2RPS6KA4ABL1
SCHEMBL27253708 0.69 RPS6KA5 (0.57) RPS6KA5MAPTSMN1; SMN2RPS6KA4MKNK1
SCHEMBL21282714 0.67 RPS6KA5 (0.60) RPS6KA5MAPTSMN1; SMN2RPS6KA4ALDH1A1
SCHEMBL31205699 0.65 RPS6KA5 (0.52) RPS6KA5MAPTSMN1; SMN2RPS6KA4ALDH1A1
SCHEMBL16140670 0.65 RPS6KA5 (0.67) RPS6KA5MAPTRPS6KA4MKNK1MKNK2
SCHEMBL29190539 0.64 ALDH1A1 (0.36) RPS6KA5MAPTSMN1; SMN2POLBCASP6

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-113710664-B JAK1 selective kinase inhibitors 迪哲(江苏)医药股份有限公司 2024-01-26 — — CN disclosed
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