SCHEMBL16280901

SCHEMBL16280901

Cc1ncc2ncn(C3CCNCC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
CYP1A2 P05177 5/20 0.39
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 4/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCI P41743 1/20 0.35
MAPK13 O15264 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
SCHEMBL15944165 0.82 HCAR1 (0.44) JAK2JAK1CYP1A2HSD17B10ALDH1A1
SCHEMBL4318007 0.77 JAK1 (0.40) JAK2JAK1CYP1A2HSD17B10ALDH1A1
SCHEMBL15833535 0.77 CHEK2 (0.39) JAK2JAK1CHEK2CHEK1AURKA
SCHEMBL4168541 0.70 TP53 (0.49) JAK2JAK1MAPK14CLK4PRKCI
Hydrochloric Acid SCHEMBL12539466 0.69 CDK2 (0.42) JAK2JAK1PIK3CAMTORPIK3CG
SCHEMBL28234948 0.68 ADORA2A (0.42) JAK2JAK1HSD17B10ALDH1A1KMT2A
SCHEMBL27438642 0.68 PI4KA (0.42) JAK2JAK1HSD17B10ALDH1A1KMT2A
SCHEMBL14743315 0.68 ADORA2A (0.49) JAK2JAK1CYP1A2HSD17B10ALDH1A1
SCHEMBL15833600 0.68 PRKCI (0.53) JAK2JAK1HSD17B10MAPK14PRKCI
SCHEMBL4373722 0.68 SRC (0.40) JAK2JAK1CYP1A2ALDH1A1CYP2C19

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
US-8906900-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2014-12-09 US disclosed