SCHEMBL22258783

SCHEMBL22258783

CC(=O)c1c[nH]nc1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
HASPIN Q8TF76 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.37
AXL P30530 1/20 0.37
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
CDC7 O00311 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 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
SCHEMBL11957361 0.84 SMN1; SMN2 (0.49) CSNK1A1MAPTKDM4EALDH1A1CDK8
SCHEMBL19039326 0.75 SMN1; SMN2 (0.36) HASPINKDM4EPOLBSMN1; SMN2HPGD
SCHEMBL15186271 0.72 LMNA (0.40) MAPTPOLBALDH1A1CCNCCDK8
SCHEMBL22258956 0.71 ROCK2 (0.44) CSNK1DMAPK1AXL
SCHEMBL22258784 0.70 TSHR (0.36) MAPK1POLBALDH1A1CDC7NPSR1
SCHEMBL5451902 0.70 IMPDH2 (0.44) CSNK1DCLK2MAPTMAPK1CDK2
SCHEMBL22258786 0.70 CSNK2A2 (0.48)
SCHEMBL1846920 0.69 ALDH1A1 (0.49) MAPTKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL7729548 0.69 KDM4E (0.50) MAPTKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL415485 0.69 KDM4E (0.55) MAPTKDM4EPOLBALDH1A1SMN1; SMN2

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-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed