SCHEMBL28703864

SCHEMBL28703864

Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3n3cc(Nc4ncc(C)c(-c5ccc(OCC(C)(C)C#N)c(F)c5)n4)cn3)c2)nc1-c1ccc(OCC(C)(C)C#N)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.39
▸ JAK2 O60674 5/20 0.39
▸ IGF1R P08069 4/20 0.37
▸ TBK1 Q9UHD2 7/20 0.36
▸ CETP P11597 1/20 0.36
▸ TRPC3 Q13507 1/20 0.35
▸ TRPC7 Q9HCX4 1/20 0.35
▸ BTK Q06187 1/20 0.34

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
SCHEMBL27275335 0.92 IGF1R (0.43) JAK1JAK2IGF1RTBK1BTK
SCHEMBL29754196 0.92 IGF1R (0.43) JAK1JAK2IGF1RTBK1BTK
SCHEMBL30891576 0.87 JAK3 (0.36) JAK1JAK2IGF1RTBK1BTK
SCHEMBL29754145 0.83 IGF1R (0.48) IGF1R
SCHEMBL22544824 0.83 IGF1R (0.48) IGF1R
SCHEMBL22546070 0.81 TBK1 (0.47) JAK1JAK2TBK1
SCHEMBL29754256 0.81 TBK1 (0.47) JAK1JAK2TBK1
SCHEMBL22544565 0.79 CDK4 (0.47) JAK1JAK2IGF1RTBK1
SCHEMBL29754131 0.79 CDK4 (0.47) JAK1JAK2IGF1RTBK1
SCHEMBL27275338 0.78 IGF1R (0.46) JAK1JAK2IGF1RTRPC3TRPC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 — — CN disclosed
CN-113993861-A Phenylethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives and compositions and methods thereof 凌科药业(杭州)有限公司 2022-01-28 — — CN disclosed
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