SCHEMBL23653045

SCHEMBL23653045

c1cc2c(cc1C1CC1)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CTNNB1 P35222 7/20 0.42
WNT3A P56704 7/20 0.42
NOTUM Q6P988 1/20 0.41
PRKCI P41743 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RIPK1 Q13546 1/20 0.38
CHRM5 P08912 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL10282948 0.89 PRKCI (0.47) DYRK1ACLK1DYRK1BPRKCI
SCHEMBL5584643 0.89 QDPR (0.45) DYRK1ACLK1DYRK1BCTNNB1WNT3A
SCHEMBL5584639 0.89 NOTUM (0.40) DYRK1ACLK1DYRK1BCTNNB1WNT3A
SCHEMBL15839854 0.86 L3MBTL1 (0.41) DYRK1ACLK1DYRK1BCTNNB1WNT3A
SCHEMBL13061962 0.81 PRKCI (0.44) DYRK1ACLK1DYRK1BPRKCI
SCHEMBL5584893 0.78 DYRK1A (0.42) DYRK1ADYRK1BPRKCI
SCHEMBL2711041 0.78 QDPR (0.47) DYRK1APRKCIL3MBTL1ESR1ESR2
SCHEMBL20656971 0.78 PRKCI (0.41) DYRK1ACLK1DYRK1BCTNNB1WNT3A
SCHEMBL20656972 0.78 PRKCI (0.41) DYRK1ACLK1DYRK1BCTNNB1WNT3A
SCHEMBL14046556 0.77 QDPR (0.51) PRKCI

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
EP-3851436-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2021-07-21 EP disclosed