SCHEMBL14117231

SCHEMBL14117231

CN1CC(c2ccc(NC(=O)c3nc(C#N)cn3S)c(C3=CCCCC3)c2)CN(C)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 18/20 0.67
▸ KIT P10721 9/20 0.55
▸ CYP2C19 P33261 2/20 0.49
▸ NTRK1 P04629 4/20 0.47
▸ LCK P06239 4/20 0.47
▸ AXL P30530 4/20 0.47
▸ FLT3 P36888 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ BMPR1B O00238 2/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ STK25 O00506 2/20 0.47
▸ RIOK3 O14730 2/20 0.47
▸ CHEK1 O14757 2/20 0.47
▸ GAK O14976 2/20 0.47
▸ DCLK1 O15075 2/20 0.47
▸ MUSK O15146 2/20 0.47
▸ EPHB6 O15197 2/20 0.47
▸ PDPK1 O15530 2/20 0.47
▸ MAP3K13 O43283 2/20 0.47
▸ DAPK3 O43293 2/20 0.47

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
SCHEMBL14117376 0.99 CSF1R (0.68) CSF1RKITCYP2C19NTRK1LCK
SCHEMBL12487348 0.91 CSF1R (0.68) CSF1RKITCYP2C19NTRK1LCK
SCHEMBL14117310 0.87 CSF1R (0.68) CSF1R
SCHEMBL14117386 0.85 CSF1R (0.56) CSF1RKITCYP2C19CYP3A4
SCHEMBL1855955 0.85 CSF1R (0.73) CSF1RKITCYP2C19NTRK1LCK
SCHEMBL1855569 0.84 CSF1R (0.58) CSF1RKITCYP2C19NTRK1LCK
SCHEMBL1855396 0.84 CSF1R (0.59) CSF1RKITCYP2C19NTRK1LCK
SCHEMBL1860908 0.84 CSF1R (0.74) CSF1RKITCYP2C19NTRK1LCK
SCHEMBL14401644 0.80 CSF1R (0.65) CSF1RKITCYP2C19NTRK1LCK
Trifluoroacetic Acid SCHEMBL1859712 0.80 CSF1R (0.67) CSF1RKITCYP2C19NTRK1LCK

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-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 — — US disclosed
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