SCHEMBL30613811

SCHEMBL30613811

N#CN1CCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ TEAD1 P28347 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ TEAD2 Q15562 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ USP30 Q70CQ3 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL30613768 0.79 MAPK1 (0.45) HTR2CMAPK1STAT3DPP4DPP7
SCHEMBL27042492 0.74 MAPK1 (0.42) TEAD1MAPK1STAT3DPP4DPP7
SCHEMBL25343345 0.71 TDP2 (0.36) NAAAHRH4TEAD1TEAD4TEAD2
Hydrochloric Acid SCHEMBL30613776 0.70 HTR2C (0.67) HTR2CS1PR1TNKS2
SCHEMBL21097251 0.69 TNKS2 (0.68) HRH4HTR2CS1PR1KIF11TNKS2
SCHEMBL11186819 0.67 TRPV1 (0.46) HRH4CYP11B2TNKS2TRPV3
SCHEMBL11190992 0.64 MAPT (0.39) CYP11B2TNKS2TRPV3
SCHEMBL11192162 0.63 TRPV3 (0.37) CYP11B2TRPV3
SCHEMBL30613785 0.62 HTR2C (0.51) HTR2CMAPK1TNKS2
SCHEMBL11179410 0.61 DRD2 (0.36) CYP11B2TRPV3

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-4472636-A2 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-12-11 — — EP disclosed
WO-2023150619-A2 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-08-10 — — WO disclosed
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