SCHEMBL24712650

SCHEMBL24712650

C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCOCC5C)nc(OCC56CCCN5CC(F)C6)nc4c3C)c12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.61
RAF1 P04049 2/20 0.59
MAPK3 P27361 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL30810098 0.93 KRAS (0.66) KRASRAF1MAPK3MAPK1
SCHEMBL27243413 0.93 KRAS (0.66) KRASRAF1MAPK3MAPK1
SCHEMBL27243368 0.93 KRAS (0.66) KRASRAF1MAPK3MAPK1
SCHEMBL27387526 0.93 KRAS (0.66) KRASRAF1MAPK3MAPK1
SCHEMBL24712088 0.91 KRAS (0.67) KRASRAF1MAPK3MAPK1
SCHEMBL24711979 0.91 KRAS (0.67) KRASRAF1MAPK3MAPK1
SCHEMBL25081619 0.90 KRAS (0.74) KRASRAF1MAPK3MAPK1
SCHEMBL30253949 0.90 KRAS (0.74) KRASRAF1MAPK3MAPK1
SCHEMBL30254288 0.90 KRAS (0.74) KRASRAF1MAPK3MAPK1
SCHEMBL30254370 0.90 KRAS (0.74) KRASRAF1MAPK3MAPK1

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-2022258974-A1 QUINAZOLINE DERIVATIVES USEFUL AS RAS INHIBITIORS REDX PHARMA PLC (GB) 2022-12-15 WO disclosed