SCHEMBL16200174

SCHEMBL16200174

Cc1cc(-c2c(F)c(C)nn2C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ MAPK13 O15264 2/20 0.40
▸ MAPK12 P53778 2/20 0.40
▸ MAPK11 Q15759 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ UHRF1 Q96T88 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE3A Q14432 1/20 0.35
▸ KCNT1 Q5JUK3 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34

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
SCHEMBL16200186 0.81 MYC (0.39) SLC34A1
SCHEMBL16200231 0.81 L3MBTL1 (0.43) DYRK1ACLK1GRM5MAPK13MAPK12
SCHEMBL16200159 0.81 LMNA (0.43) DYRK1ACLK1GRM5MAPK13MAPK12
SCHEMBL13184353 0.80 DYRK1A (0.41) DYRK1ACLK1MAPK13MAPK12MAPK11
SCHEMBL16200292 0.77 PDE4D (0.42) DYRK1ACLK1GRM5MAPK13MAPK12
Iodide SCHEMBL9618570 0.72 DYRK1A (0.63) DYRK1ACLK1UHRF1MAP4K4
SCHEMBL16200167 0.70 BRD4 (0.35) POLBPDE10AHTTMAPK1
SCHEMBL2684541 0.70 MAP4K4 (0.46) DYRK1ACLK1UHRF1HTTMAP4K4
SCHEMBL30308690 0.70 DYRK1A (0.65) DYRK1ACLK1UHRF1MAP4K4
SCHEMBL1896511 0.70 DYRK1A (0.65) DYRK1ACLK1UHRF1MAP4K4

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
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