SCHEMBL30907262

SCHEMBL30907262

CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C45CC(C4)C5)cc3cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL30907339 0.85 ABL1 (0.65) ABL1MAP4K1
SCHEMBL30907112 0.84 ABL1 (0.58) ABL1ALDH1A1LMNA
SCHEMBL30907343 0.84 ABL1 (0.58) ABL1ALDH1A1LMNA
SCHEMBL30907563 0.84 ABL1 (0.58) ABL1ALDH1A1LMNA
SCHEMBL30907127 0.84 ABL1 (0.48) ABL1MAP4K1
SCHEMBL30907251 0.83 ABL1 (0.52) ABL1MAP4K1
SCHEMBL30907604 0.83 ABL1 (0.61) ABL1MAP4K1
SCHEMBL30907616 0.81 ABL1 (0.50) ABL1
SCHEMBL30907191 0.81 ABL1 (0.68) ABL1MAP4K1
SCHEMBL30907232 0.81 ABL1 (0.57) ABL1MAP4K1

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed