SCHEMBL30405656

SCHEMBL30405656

c1cc(-c2cc3n(n2)C2CCC3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.38
BRAF P15056 9/20 0.37
DYRK1A Q13627 1/20 0.36
CDC7 O00311 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP3K12 Q12852 4/20 0.34
CRACR2A Q9BSW2 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL30406036 0.66 GRM5 (0.38) KDRDYRK1ACDC7MKNK1MKNK2
SCHEMBL21577452 0.65 ALDH1A1 (0.38) OPRM1OPRL1
SCHEMBL21577447 0.65 ALDH1A1 (0.38) OPRM1OPRL1
SCHEMBL21577448 0.65 ALDH1A1 (0.38) OPRM1OPRL1
SCHEMBL997406 0.65 GAA (0.52) KDRBRAF
SCHEMBL30403800 0.64 CDC7 (0.43) KDRCDC7
SCHEMBL11783495 0.62 RAB9A (0.54) MKNK1MKNK2
SCHEMBL14557173 0.60 LMNA (0.43) KDRDYRK1ACDC7
SCHEMBL13298024 0.59 DYRK1A (0.36) KDRDYRK1ACDC7MKNK1MKNK2
SCHEMBL23994792 0.58 AKT1 (0.35) KDRDYRK1AMKNK1MKNK2

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-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed