SCHEMBL4789778

SCHEMBL4789778

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5[nH]ncc5c4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.88
▸ BRAF P15056 7/20 0.88
▸ HTT P42858 3/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ ATM Q13315 1/20 0.70
▸ HCK P08631 2/20 0.68
▸ BTK Q06187 2/20 0.68
▸ CLK1 P49759 1/20 0.66
▸ EPHA2 P29317 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ KMT2A Q03164 1/20 0.65

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
SCHEMBL4788703 0.91 BRAF (0.89) EGFRBRAFHTTMAPK1ATM
SCHEMBL4786842 0.85 BRAF (1.00) EGFRBRAF
SCHEMBL13878758 0.83 HTT (0.74) EGFRBRAFHTTMAPK1ATM
SCHEMBL4787314 0.83 BRAF (0.85) EGFRBRAF
SCHEMBL13878755 0.82 HTT (0.69) EGFRBRAFHTTMAPK1ATM
SCHEMBL13708167 0.82 ATM (0.69) EGFRBRAFHTTMAPK1ATM
SCHEMBL4789121 0.81 ATM (0.79) EGFRBRAFHTTMAPK1ATM
SCHEMBL16236899 0.81 KIT (0.86) EGFRBRAFHTTMAPK1ATM
SCHEMBL14704592 0.81 MAPK14 (0.78) EGFRBRAFHTTMAPK1ATM
SCHEMBL16810176 0.81 BTK (1.00) EGFRBRAFHTTMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
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