SCHEMBL30907464

SCHEMBL30907464

CCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC)cc3cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.46
KRAS P01116 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
NNMT P40261 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
SCHEMBL30907158 1.00 ABL1 (0.46) ABL1KRASRAF1BRAFKDR
SCHEMBL30907109 1.00 ABL1 (0.46) ABL1KRASRAF1BRAFKDR
SCHEMBL30907118 0.91 ABL1 (0.53) ABL1NNMT
SCHEMBL30907244 0.91 ABL1 (0.53) ABL1NNMT
SCHEMBL30907550 0.91 ABL1 (0.53) ABL1NNMT
SCHEMBL30907488 0.88 ABL1 (0.50) ABL1KRASRAF1BRAFKDR
SCHEMBL30907617 0.88 ABL1 (0.50) ABL1KRASRAF1BRAFKDR
SCHEMBL30907499 0.88 ABL1 (0.50) ABL1KRASRAF1BRAFKDR
SCHEMBL30907292 0.87 ABL1 (0.52) ABL1
SCHEMBL30907633 0.87 ABL1 (0.45) ABL1KRASRAF1BRAFKDR

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