SCHEMBL26215337

SCHEMBL26215337

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.64
▸ BRAF P15056 2/20 0.64
▸ RET P07949 2/20 0.59
▸ MAPT P10636 6/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ ATM Q13315 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KIT P10721 1/20 0.57
▸ HCK P08631 1/20 0.56
▸ NR2C2 P49116 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ UBE2N P61088 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ EPHA2 P29317 2/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ MAP4K2 Q12851 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ MAP3K20 Q9NYL2 1/20 0.54

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
SCHEMBL26215628 0.88 HTT (0.58) RETMAPTKMT2AATMHTT
SCHEMBL26215023 0.87 EGFR (0.64) EGFRBRAFRETMAPTKMT2A
SCHEMBL26215982 0.86 MAPT (0.52) EGFRBRAFMAPTKMT2AATM
SCHEMBL26215332 0.84 ATM (0.59) EGFRBRAFRETMAPTKMT2A
SCHEMBL1420251 0.82 EPHA2 (0.62) EGFRBRAFRETMAPTKMT2A
SCHEMBL26214307 0.81 EPHA2 (0.84) RETMAPTKMT2AATMMAPK1
SCHEMBL20568434 0.81 HTT (0.62) EGFRBRAFMAPTATMHTT
SCHEMBL28054362 0.78 HTT (0.65) BRAFMAPTKMT2AATMHTT
SCHEMBL17181924 0.78 EPHA2 (0.66) EGFRBRAFRETMAPTKMT2A
SCHEMBL20568437 0.78 EPHA2 (0.61) BRAFRETMAPTATMHTT

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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