SCHEMBL30320620

SCHEMBL30320620

COc1ccc(CNc2nccc3c2c(-c2ccc(NC(=O)Nc4cc(C5(C(F)(F)F)CC5)no4)nc2)nn3C2CC2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NEK7 Q8TDX7 11/20 0.40
▸ BRAF P15056 2/20 0.38
▸ KIT P10721 1/20 0.36
▸ PDGFRB P09619 3/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL24096584 1.00 NEK7 (0.40) NEK7BRAFKITPDGFRBFLT3
SCHEMBL24096709 0.83 NEK7 (0.48) NEK7BRAFKITFLT3KDR
SCHEMBL30320639 0.83 NEK7 (0.48) NEK7BRAFKITFLT3KDR
SCHEMBL30320496 0.81 NEK7 (0.52) NEK7
SCHEMBL24096724 0.81 NEK7 (0.52) NEK7
SCHEMBL23966757 0.81 NEK7 (0.56) NEK7
SCHEMBL30180828 0.81 NEK7 (0.56) NEK7
SCHEMBL24096641 0.76 TP53 (0.41) CYP1A2CYP3A4CYP2C19USP2ALDH1A1
SCHEMBL29998774 0.76 TP53 (0.41) CYP1A2CYP3A4CYP2C19USP2ALDH1A1
SCHEMBL24096462 0.74 NEK7 (0.60) NEK7KDR

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
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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