SCHEMBL21815096

SCHEMBL21815096

COc1cc(N2CCN(C(=O)O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.79
▸ ZAP70 P43403 4/20 0.77
▸ ROS1 P08922 7/20 0.73
▸ EGFR P00533 3/20 0.73
▸ INSR P06213 2/20 0.73
▸ IGF1R P08069 2/20 0.73
▸ BMPR1B O00238 1/20 0.73
▸ PLK4 O00444 1/20 0.73
▸ STK25 O00506 1/20 0.73
▸ RIOK3 O14730 1/20 0.73
▸ CHEK1 O14757 1/20 0.73
▸ CASK O14936 1/20 0.73
▸ AURKA O14965 1/20 0.73
▸ GAK O14976 1/20 0.73
▸ DCLK1 O15075 1/20 0.73
▸ MUSK O15146 1/20 0.73
▸ EPHB6 O15197 1/20 0.73
▸ PDPK1 O15530 1/20 0.73
▸ MAP3K13 O43283 1/20 0.73
▸ DAPK3 O43293 1/20 0.73

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
SCHEMBL21844685 0.91 ALK (0.76) ALKZAP70ROS1EGFRINSR
SCHEMBL30165141 0.91 ALK (0.76) ALKZAP70ROS1EGFRINSR
SCHEMBL18843559 0.91 ALK (0.87) ALKZAP70ROS1EGFRINSR
SCHEMBL29316154 0.89 ALK (0.81) ALKZAP70ROS1EGFRINSR
SCHEMBL13394910 0.89 ALK (0.84) ALKZAP70ROS1EGFRINSR
SCHEMBL11916458 0.87 ALK (0.80) ALKZAP70ROS1EGFRINSR
SCHEMBL22493385 0.87 ALK (0.82) ALKZAP70ROS1EGFRINSR
SCHEMBL18843489 0.86 ZAP70 (0.82) ALKZAP70ROS1EGFRINSR
SCHEMBL20805541 0.85 ZAP70 (0.80) ALKZAP70ROS1EGFRINSR
SCHEMBL18334849 0.85 ALK (0.93) ALK

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
EP-3856192-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2021-08-04 — — EP disclosed
WO-2020069106-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 — — WO disclosed
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