SCHEMBL26215982

SCHEMBL26215982

CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)cc(NC(=O)c4cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ EGFR P00533 3/20 0.52
▸ BRAF P15056 3/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ UBE2N P61088 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAP3K7 O43318 1/20 0.50
▸ MAP4K2 Q12851 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ MAP3K20 Q9NYL2 1/20 0.50
▸ PAX8 Q06710 1/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ EPHA2 P29317 2/20 0.48
▸ HCK P08631 1/20 0.48
▸ NR2C2 P49116 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL26215337 0.86 EGFR (0.64) MAPTEGFRBRAFKMT2AKDM4E
SCHEMBL26215023 0.80 EGFR (0.64) MAPTEGFRBRAFKMT2AKDM4E
SCHEMBL26215332 0.79 ATM (0.59) MAPTEGFRBRAFKMT2AATM
SCHEMBL26215628 0.78 HTT (0.58) MAPTKMT2AKDM4EATMNPSR1
SCHEMBL1420251 0.76 EPHA2 (0.62) MAPTEGFRBRAFKMT2AATM
SCHEMBL26214307 0.75 EPHA2 (0.84) MAPTKMT2AKDM4EATMUBE2N
SCHEMBL28054362 0.72 HTT (0.65) MAPTBRAFKMT2AKDM4EATM
SCHEMBL17181924 0.72 EPHA2 (0.66) MAPTEGFRBRAFKMT2AKDM4E
SCHEMBL20568437 0.72 EPHA2 (0.61) MAPTBRAFATMMAP3K7MAP4K2
SCHEMBL20568434 0.71 HTT (0.62) MAPTEGFRBRAFATMMAP3K7

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
WO-2023168107-A2 COMPOUNDS AND COMPOSITIONS FOR ANITMALARIAL THERAPEUTIC AND PROPHYLACTIC USE UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-09-07 — — WO disclosed
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