SCHEMBL25513982

SCHEMBL25513982

Cc1nnc2n1C(C(C)C)CC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
DRD4 P21917 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
SCHEMBL22484670 0.74 MAP3K5 (0.36) POLB
SCHEMBL21152439 0.74 MAP3K5 (0.36) POLB
SCHEMBL23118798 0.70
SCHEMBL22484754 0.67 POLB (0.41) POLBDRD4
SCHEMBL12862785 0.65 ALDH1A1 (0.33)
SCHEMBL24305788 0.64 PDPK1 (0.32)
SCHEMBL23118885 0.63
SCHEMBL12862763 0.63 IDH1 (0.33)
SCHEMBL23118509 0.63
SCHEMBL17856438 0.62 GAA (0.36)

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-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed