SCHEMBL26202876

SCHEMBL26202876

Nc1cc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ EPHX2 P34913 6/20 0.46
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ TRPV1 Q8NER1 3/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ AR P10275 1/20 0.41

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
SCHEMBL30482552 1.00 EGFR (0.47) EGFRDYRK1AEPHX2ABL1BCR
SCHEMBL25375552 0.84 DYRK1A (0.48) EGFRDYRK1AEPHX2ABL1BCR
SCHEMBL25339314 0.82 TRPV1 (0.46) EGFREPHX2TRPV1ABCG2
SCHEMBL25956232 0.81 KDM4E (0.43) EGFREPHX2TRPV1
SCHEMBL25956364 0.80 TRPV1 (0.45) EGFREPHX2TRPV1ABCG2LMNA
SCHEMBL25338503 0.78 TRPV1 (0.53) EGFRDYRK1ATRPV1
SCHEMBL25974137 0.78 TRPV1 (0.49) EPHX2TRPV1
SCHEMBL25974136 0.78 EPHX2 (0.48) EPHX2TRPV1
SCHEMBL25974055 0.78 EPHX2 (0.46) EPHX2TRPV1LMNA
SCHEMBL25956271 0.77 EPHX2 (0.41) EGFREPHX2TRPV1

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-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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