SCHEMBL27360586

SCHEMBL27360586

Cc1cn([C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)c2ccc(-c3ccncc3Cl)cc2)C(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
ELANE P08246 2/20 0.34
CCR5 P51681 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 5/20 0.33
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
BRAF P15056 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ABL1 P00519 1/20 0.33
VHL P40337 1/20 0.32
XIAP P98170 1/20 0.32
MLX Q9UH92 1/20 0.32

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
SCHEMBL27360587 0.91 PTGES (0.35) PREPFAPELANECCR5KCNH2
SCHEMBL27360679 0.90 ROCK2 (0.37) ELANECCR5KCNH2MAPK1BRAF
SCHEMBL27360684 0.86 CYP3A4 (0.34) ELANEKCNH2MAPK1BRAFVHL
SCHEMBL27360583 0.85 DPP4 (0.37) DPP4ELANEKCNH2MAPK1XIAP
SCHEMBL27360675 0.84 ELANE (0.38) DPP4ELANEKCNH2XIAPMLX
SCHEMBL27360584 0.84 ELANE (0.35) ELANEKCNH2MAPK1VHLXIAP
SCHEMBL27360670 0.84 ELANE (0.36) ELANEKCNH2MAPK1XIAPMLX
SCHEMBL26847747 0.73 VHL (0.51) VHL
SCHEMBL27360088 0.71 VHL (0.42) DPP4VHL
SCHEMBL30760141 0.71 DPP4 (0.47) DPP4VHL

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-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed