SCHEMBL30144989

SCHEMBL30144989

Cc1nc(Nc2ncc(C(=O)O)s2)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 0.75
▸ SIK2 Q9H0K1 12/20 0.75
▸ SIK3 Q9Y2K2 12/20 0.75
▸ SIK1 P57059 10/20 0.75
▸ SRC P12931 6/20 0.72
▸ PKMYT1 Q99640 3/20 0.70
▸ KIT P10721 4/20 0.68
▸ BCR P11274 3/20 0.68
▸ EPHB6 O15197 2/20 0.68
▸ EGFR P00533 2/20 0.68
▸ LCK P06239 2/20 0.68
▸ FYN P06241 2/20 0.68
▸ CSF1R P07333 2/20 0.68
▸ YES1 P07947 2/20 0.68
▸ LYN P07948 2/20 0.68
▸ RET P07949 2/20 0.68
▸ HCK P08631 2/20 0.68
▸ BRAF P15056 2/20 0.68
▸ EPHA1 P21709 2/20 0.68
▸ EPHA2 P29317 2/20 0.68

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
SCHEMBL3536666 1.00 ABL1 (0.75) ABL1SIK2SIK3SIK1SRC
SCHEMBL14141736 0.93 ABL1 (0.73) ABL1SIK2SIK3SIK1SRC
SCHEMBL14665835 0.92 ABL1 (0.64) ABL1SIK2SIK3SIK1SRC
SCHEMBL3396435 0.91 ABL1 (0.73) ABL1SIK2SIK3SIK1SRC
SCHEMBL12438117 0.91 ABL1 (0.73) ABL1SIK2SIK3SIK1SRC
SCHEMBL29885048 0.91 ABL1 (0.73) ABL1SIK2SIK3SIK1SRC
Water SCHEMBL3226546 0.90 ABL1 (0.72) ABL1SIK2SIK3SIK1SRC
SCHEMBL18971581 0.90 ABL1 (0.72) ABL1SIK2SIK3SIK1SRC
SCHEMBL4252892 0.90 ABL1 (0.69) ABL1SIK2SIK3SIK1SRC
SCHEMBL4257532 0.89 SIK2 (0.67) ABL1SIK2SIK3SIK1SRC

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-113727981-B Kinase inhibitor, preparation, pharmaceutical composition and application thereof 湖南华纳大药厂股份有限公司 2023-01-20 — — CN disclosed
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