SCHEMBL28793685

SCHEMBL28793685

[CH2]CC(n1ccc2cnc(Nc3cccc(-n4cncn4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ JAK3 P52333 7/20 0.37
▸ JAK2 O60674 8/20 0.37
▸ EGFR P00533 4/20 0.37
▸ SYK P43405 3/20 0.37
▸ DCLK1 O15075 2/20 0.37
▸ PDPK1 O15530 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ PRKCG P05129 2/20 0.37
▸ LCK P06239 2/20 0.37
▸ FYN P06241 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ LYN P07948 2/20 0.37
▸ RET P07949 2/20 0.37
▸ IGF1R P08069 2/20 0.37
▸ ROS1 P08922 2/20 0.37

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
SCHEMBL1284716 0.92 AURKA (0.38) AURKACDK4JAK3JAK2EGFR
SCHEMBL27844373 0.91 SYK (0.45) JAK3JAK2SYKTYK2IRAK4
SCHEMBL27825347 0.84 CDK4 (0.46) AURKACDK4JAK3JAK2EGFR
SCHEMBL27825349 0.83 MAP3K5 (0.47) AURKACDK4JAK3EGFRSRC
SCHEMBL28793682 0.82 CDK4 (0.46) AURKACDK4JAK3JAK2EGFR
SCHEMBL1285133 0.82 SYK (0.46) CDK4JAK3JAK2SYKCDK1
SCHEMBL28793684 0.82 MAP3K5 (0.47) AURKACDK4JAK3EGFRSRC
SCHEMBL27844447 0.80 AURKA (0.47) AURKACDK4JAK3JAK2EGFR
SCHEMBL27844363 0.78 TBK1 (0.55) AURKACDK4JAK3JAK2EGFR
SCHEMBL1284577 0.76 HDAC3 (0.47) CDK4JAK3JAK2EGFRSYK

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-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 — — CN claimed
CN-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 — — CN disclosed
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