SCHEMBL30867703

SCHEMBL30867703

COC1(c2nccc(C)c2C2CCN(c3cc(N4C[C@@H](N5CCN(OC(=O)C(F)(F)F)CC5)[C@H]4C)nc(C(F)(F)F)n3)CC2)COC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.32
RAF1 P04049 2/20 0.31
BRAF P15056 1/20 0.31
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL30867709 0.89 GPR119 (0.36) KHKRAF1CCR2KCNH2
SCHEMBL38654231 0.88 CCR2 (0.32) KHKRAF1BRAFCCR2KCNH2
SCHEMBL30867891 0.88 CCR2 (0.33) KHKRAF1BRAFCCR2KCNH2
SCHEMBL38654154 0.85 KHK (0.32) KHKRAF1BRAFCCR2
SCHEMBL38654237 0.84 KHK (0.32) KHKRAF1BRAFCCR2KCNH2
SCHEMBL38654401 0.84 CCR2 (0.33) KHKRAF1BRAFCCR2KCNH2
SCHEMBL38652948 0.84 CCR2 (0.33) KHKRAF1BRAFCCR2KCNH2
SCHEMBL38653945 0.83 GPR119 (0.31)
SCHEMBL38653811 0.83 GPR119 (0.30)
SCHEMBL30867912 0.82 GPR119 (0.35) KHKRAF1BRAFHCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed