SCHEMBL25049482

SCHEMBL25049482

Oc1nc(O)c2cc(C(F)(F)F)c(Cl)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
NOTUM Q6P988 3/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
KDR P35968 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
NT5E P21589 1/20 0.31
KMO O15229 1/20 0.31
GLP1R P43220 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL16636772 0.77 KMO (0.37) EGLN1NOTUMHTR3EHTR3BHTR3A
SCHEMBL16637079 0.74 CSNK2A1 (0.37) CSNK2A1
SCHEMBL11211641 0.74 CASP6 (0.40) EGLN1
SCHEMBL27474584 0.74 LMNA (0.35)
SCHEMBL14584685 0.74 C1R (0.31)
SCHEMBL25051724 0.72 NOTUM (0.34) EGLN1NOTUMHTR3EHTR3BHTR3A
SCHEMBL24579692 0.70 AHR (0.32) CSNK2A1
SCHEMBL11217658 0.70 GAA (0.39) EGLN1
SCHEMBL27248741 0.70 PGK1 (0.46) KDR
SCHEMBL25486563 0.70

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-2023018699-A1 SELECTIVE KRAS INHIBITORS ERASCA, INC. (US) 2023-02-16 WO disclosed