SCHEMBL28906506

SCHEMBL28906506

C#Cc1c(F)ccc2cc(O)cc(-c3nc(C)c4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.83
MAPK3 P27361 1/20 0.83
MAPK1 P28482 1/20 0.83
RAF1 P04049 1/20 0.68

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
SCHEMBL26708154 1.00 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL26708166 0.94 KRAS (0.77) KRASMAPK3MAPK1RAF1
SCHEMBL24857246 0.94 KRAS (0.84) KRASMAPK3MAPK1RAF1
SCHEMBL27212496 0.94 KRAS (0.84) KRASMAPK3MAPK1RAF1
SCHEMBL25800596 0.94 KRAS (0.82) KRASMAPK3MAPK1RAF1
SCHEMBL28960815 0.94 KRAS (0.82) KRASMAPK3MAPK1RAF1
SCHEMBL25136725 0.94 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL25136743 0.94 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL28906491 0.93 KRAS (0.81) KRASMAPK3MAPK1RAF1
SCHEMBL25602314 0.93 KRAS (0.81) KRASMAPK3MAPK1RAF1

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-115304623-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-11-08 CN disclosed