SCHEMBL24459902

SCHEMBL24459902

Cc1nc(OCC2CCCN2C)nc2c1CCN(c1cccc3ccccc13)C2

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.69
▸ VHL P40337 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ MNAT1 P51948 1/20 0.47
▸ SOS1 Q07889 1/20 0.47

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
SCHEMBL23465147 1.00 KRAS (0.69) KRASVHLCDK7CCNHMNAT1
SCHEMBL19947678 0.90 KRAS (0.70) KRASVHLCDK7CCNHMNAT1
SCHEMBL23465151 0.89 KRAS (0.71) KRAS
SCHEMBL23464871 0.87 KRAS (0.68) KRASVHLCDK7CCNHMNAT1
SCHEMBL24460025 0.87 KRAS (0.68) KRASVHLCDK7CCNHMNAT1
SCHEMBL19947689 0.86 KRAS (0.65) KRASVHLCDK7CCNHMNAT1
SCHEMBL30189104 0.86 KRAS (0.65) KRASVHLCDK7CCNHMNAT1
SCHEMBL21005433 0.86 KRAS (0.74) KRASVHLCDK7CCNHMNAT1
SCHEMBL24459962 0.86 KRAS (0.62) KRASVHLCDK7CCNHMNAT1
SCHEMBL22440239 0.85 KRAS (0.77) KRASVHLCDK7CCNHMNAT1

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-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 — — WO disclosed
Send feedback