SCHEMBL26108320

SCHEMBL26108320

O=CC=CN1CC[C@@H](Nc2nccnc2Nc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 14/20 0.38
▸ PAK1 Q13153 1/20 0.37
▸ ULK1 O75385 1/20 0.35
▸ ULK2 Q8IYT8 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL26105753 0.81 TRPV1 (0.44) TRPV1MAPT
SCHEMBL30591713 0.78 TEAD1 (0.55) EGFR
SCHEMBL26108164 0.78 FAAH (0.42) TRPV1
SCHEMBL26111646 0.77 TRPV1 (0.40) TRPV1
SCHEMBL26107483 0.76 TRPV1 (0.46) TRPV1
SCHEMBL21856357 0.75 RHOC (0.40) PAK1
SCHEMBL21856323 0.73 IDH2 (0.45) —
SCHEMBL21856343 0.73 TAS2R14 (0.37) —
SCHEMBL21856319 0.73 ALDH1A1 (0.42) TRPV1MAPTPOLB
SCHEMBL21856354 0.73 EGFR (0.39) EGFR

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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