SCHEMBL29968589

SCHEMBL29968589

COc1ccnc(Nc2cc(N3CC4(CCN(C(C)=O)CC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 6/20 0.47
▸ CSF1R P07333 6/20 0.40
▸ KIT P10721 3/20 0.39
▸ PDGFRA P16234 3/20 0.39
▸ DLK1 P80370 1/20 0.39
▸ DRG1 Q9Y295 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ IRAK1 P51617 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ FGFR3 P22607 2/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35

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
SCHEMBL23763193 1.00 MAP3K12 (0.47) MAP3K12CSF1RKITPDGFRADLK1
SCHEMBL23763418 0.91 MAP3K12 (0.41) MAP3K12FGFR3FGFR1FGFR2SYK
SCHEMBL29968218 0.91 MAP3K12 (0.41) MAP3K12FGFR3FGFR1FGFR2SYK
SCHEMBL29967963 0.89 MAP3K12 (0.50) MAP3K12CSF1RKITPDGFRADLK1
SCHEMBL23763158 0.89 MAP3K12 (0.50) MAP3K12CSF1RKITPDGFRADLK1
SCHEMBL23763195 0.87 MAP3K12 (0.38) MAP3K12CSF1RKITPDGFRADYRK1A
SCHEMBL23763209 0.83 ROCK2 (0.38) MAP3K12CSF1RKITPDGFRADYRK1A
SCHEMBL23763221 0.82 MAP3K12 (0.50) MAP3K12CSF1RKITPDGFRADLK1
SCHEMBL23763470 0.81 MAP3K12 (0.53) MAP3K12CSF1RKITPDGFRADLK1
SCHEMBL23763205 0.81 MAP3K12 (0.42) MAP3K12CSF1RKITDLK1DRG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 — — CN claimed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 — — CN claimed
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 — — CN disclosed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 — — CN disclosed
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