SCHEMBL30947686

SCHEMBL30947686

NC(=O)c1ccc(-c2cnc3cc(C(=O)N4CCC(F)(F)CC4)ccn23)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
KDR P35968 8/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
NEK2 P51955 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
VNN1 O95497 1/20 0.37
FGFR3 P22607 4/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 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
SCHEMBL30361476 0.91 HPGD (0.50) HPGDKDRMKNK1MKNK2AKT1
SCHEMBL24929319 0.91 HPGD (0.50) HPGDKDRMKNK1MKNK2AKT1
SCHEMBL24929887 0.88 HPGD (0.46) HPGDKDRMKNK1MKNK2AKT1
SCHEMBL24929322 0.84 HPGD (0.53) HPGDKDRMKNK1MKNK2JAK2
SCHEMBL24929889 0.83 HPGD (0.48) HPGDKDRMKNK1MKNK2FGFR3
SCHEMBL30361443 0.80 HPGD (0.45) HPGDMKNK1MKNK2VNN1FGFR3
SCHEMBL24929321 0.80 HPGD (0.45) HPGDMKNK1MKNK2VNN1FGFR3
SCHEMBL24929888 0.77 HPGD (0.47) HPGDAKT1AKT2VNN1
SCHEMBL24942616 0.69 HPGD (0.50) HPGDVNN1
SCHEMBL25342736 0.69 MKNK1 (0.44) HPGDMKNK1MKNK2FGFR3

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
CN-118201926-A Bicyclic PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-06-14 CN disclosed