SCHEMBL7966699

SCHEMBL7966699

NC1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.84
JAK2 O60674 14/20 0.84
JAK3 P52333 4/20 0.79
TYK2 P29597 3/20 0.79
STK10 O94804 1/20 0.78
ABL1 P00519 1/20 0.78
CYP1A2 P05177 1/20 0.78
CSF1R P07333 1/20 0.78
FLT1 P17948 1/20 0.78
CYP2C19 P33261 1/20 0.78
FLT4 P35916 1/20 0.78
FLT3 P36888 1/20 0.78
STAT1 P42224 1/20 0.78
IRAK1 P51617 1/20 0.78
MAPK10 P53779 1/20 0.78
KCNH2 Q12809 1/20 0.78
MERTK Q12866 1/20 0.78
AAK1 Q2M2I8 1/20 0.78
Q6ZSR9 Q6ZSR9 1/20 0.78
ADCK1 Q86TW2 1/20 0.78

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
SCHEMBL2239378 0.93 JAK2 (0.85) JAK1JAK2JAK3TYK2STK10
SCHEMBL2738405 0.91 JAK1 (1.00) JAK1JAK2JAK3TYK2STK10
SCHEMBL2237614 0.91 JAK1 (1.00) JAK1JAK2JAK3TYK2STK10
SCHEMBL2237580 0.91 JAK2 (1.00) JAK1JAK2JAK3TYK2STK10
SCHEMBL218626 0.90 JAK2 (1.00) JAK1JAK2JAK3TYK2STK10
SCHEMBL2237575 0.90 JAK1 (1.00) JAK1JAK2JAK3TYK2STK10
SCHEMBL7978909 0.90 JAK2 (0.83) JAK1JAK2JAK3TYK2STK10
SCHEMBL218472 0.89 JAK1 (1.00) JAK1JAK2JAK3TYK2STK10
SCHEMBL7960554 0.89 JAK2 (0.84) JAK1JAK2JAK3TYK2STK10
SCHEMBL18405534 0.89 JAK2 (0.84) JAK1JAK2JAK3TYK2STK10

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-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed