SCHEMBL14102455

SCHEMBL14102455

Cc1c(N2CCN(c3ncccn3)CC2)nnc(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.57
MAPK14 Q16539 2/20 0.57
SMO Q99835 3/20 0.47
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL8908188 0.88 MAPT (0.62) CSNK1DMAPK14SMOMAPTNPSR1
SCHEMBL1753096 0.87 CSNK1D (0.54) CSNK1DMAPK14SMOMAPTNPSR1
SCHEMBL12706599 0.83 CSNK1D (0.54) CSNK1DMAPK14MAPTNPSR1LMNA
SCHEMBL14102661 0.80 SMO (0.40) CSNK1DMAPK14SMOMAPTNPSR1
Tt-301 SCHEMBL529969 0.73 CSNK1D (0.60) CSNK1DMAPK14MAPTNPSR1LMNA
SCHEMBL1753099 0.73 CSNK1D (0.60) CSNK1DMAPK14MAPTNPSR1LMNA
Tt-301 SCHEMBL529453 0.72 CSNK1D (0.59) CSNK1DMAPK14MAPTNPSR1LMNA
SCHEMBL1752939 0.72 MAPK14 (1.00) CSNK1DMAPK14MAPTNPSR1LMNA
Tt-301 SCHEMBL9998818 0.72 CSNK1D (0.59) CSNK1DMAPK14MAPTNPSR1LMNA
SCHEMBL1753135 0.72 MAPK14 (1.00) CSNK1DMAPK14MAPTNPSR1LMNA

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-2008094208-A2 PROTEIN KINASE TARGETED THERAPEUTICS NORTHWESTERN UNIVERSITY (US) 2008-08-07 WO disclosed