SCHEMBL26215628

SCHEMBL26215628

CCN1CCN(Cc2ccc(NC(=O)c3cc(N)cc(Cl)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.58
▸ ATM Q13315 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HCK P08631 1/20 0.57
▸ NR2C2 P49116 1/20 0.57
▸ MAPT P10636 4/20 0.55
▸ CLK1 P49759 1/20 0.55
▸ KIT P10721 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ RET P07949 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ EPHA2 P29317 2/20 0.53
▸ MAP3K7 O43318 3/20 0.53
▸ MAP4K2 Q12851 3/20 0.53
▸ MAPK14 Q16539 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAP3K20 Q9NYL2 1/20 0.53
▸ FES P07332 1/20 0.53
▸ FER P16591 1/20 0.53

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 0.88 EGFR (0.64) HTTATMMAPK1HCKNR2C2
SCHEMBL1420251 0.87 EPHA2 (0.62) HTTATMMAPK1MAPTCLK1
SCHEMBL20568434 0.85 HTT (0.62) HTTATMMAPK1HCKNR2C2
SCHEMBL26215332 0.83 ATM (0.59) HTTATMMAPTCLK1KIT
SCHEMBL26215023 0.83 EGFR (0.64) ATMMAPTKITKMT2ARET
SCHEMBL28054362 0.82 HTT (0.65) HTTATMMAPK1HCKNR2C2
SCHEMBL20568437 0.82 EPHA2 (0.61) HTTATMMAPK1HCKNR2C2
SCHEMBL3389535 0.82 HTT (0.71) HTTATMMAPK1HCKNR2C2
SCHEMBL15690013 0.81 MAPT (0.58) HTTATMMAPK1HCKNR2C2
SCHEMBL16380144 0.81 RET (0.63) HTTATMMAPK1HCKNR2C2

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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