SCHEMBL31284304

SCHEMBL31284304

Cc1cn(-c2cc(N=C(c3ccccc3)c3ccccc3)ccc2C(F)(F)F)nn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.42
▸ BRD4 O60885 1/20 0.36
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ APP P05067 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ RBP4 P02753 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ STS P08842 1/20 0.30

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
SCHEMBL18377889 0.74 NOTUM (0.52) NOTUMBRD4APPTRPV1RBP4
SCHEMBL30946437 0.72 NOTUM (0.48) NOTUMBRD4APPTRPV1PDE10A
SCHEMBL31284267 0.72 NOTUM (0.48) NOTUMBRD4APPTRPV1PDE10A
SCHEMBL30946402 0.71 ESR1 (0.34) ESR1ESR2NTRK1
SCHEMBL31284601 0.71 NOTUM (0.38) NOTUMESR1ESR2
SCHEMBL6135928 0.70 ESR1 (0.44) ESR1ESR2
SCHEMBL16339338 0.68 GRM5 (0.36) ESR1ESR2RBP4
SCHEMBL8586278 0.67 MAPT (0.50) ESR1ESR2
SCHEMBL30402030 0.66 ESR1 (0.40) NOTUMESR1ESR2
SCHEMBL31231692 0.66 KMO (0.36) NOTUMESR1ESR2NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743085-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-20 — — EP disclosed
WO-2025019357-A2 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-01-23 — — WO disclosed
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