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SCHEMBL30280600

SCHEMBL30280600

CCC(c1cnn(-c2ccccc2F)c1)n1nc(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 12/20 1.00
▸ PIK3CD O00329 7/20 0.44
▸ CSNK1E P49674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ PRKDC P78527 1/20 0.40

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
SCHEMBL20263190 1.00 CFTR (1.00) CFTRPIK3CDCSNK1EABL1EGFR
SCHEMBL20263192 1.00 CFTR (1.00) CFTRPIK3CDCSNK1EABL1EGFR
SCHEMBL20263203 1.00 CFTR (1.00) CFTRPIK3CDCSNK1EABL1EGFR
SCHEMBL30280478 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL30280460 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263160 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263246 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263159 0.87 CFTR (1.00) CFTRPIK3CD
SCHEMBL21522967 0.86 CFTR (0.75) CFTRPIK3CDCSNK1EABL1EGFR
SCHEMBL20162772 0.85 CFTR (0.74) CFTRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300589-B Bicyclic heteroaryl derivatives as CFTR potentiators 囊性纤维化基金会 2023-03-10 — — CN disclosed