SCHEMBL17952137

SCHEMBL17952137

IC1CCN(c2cnc3[nH]cc(-c4ccccc4)c3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 4/20 0.52
▸ TNIK Q9UKE5 2/20 0.52
▸ CDK8 P49336 1/20 0.52
▸ JAK2 O60674 2/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ INSR P06213 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ FES P07332 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ ROS1 P08922 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ PHKG2 P15735 1/20 0.50
▸ FER P16591 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ CDK2 P24941 1/20 0.50

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
SCHEMBL17951910 0.90 NTRK1 (0.47) NTRK1MAPK1
SCHEMBL19351251 0.82 AXL (0.61) AXLTNIKCDK8JAK2PLK4
SCHEMBL19068211 0.81 AXL (0.59) AXLTNIKCDK8JAK2PLK4
SCHEMBL17951906 0.78 AXL (0.53) AXLTNIKCDK8JAK2PLK4
SCHEMBL17939377 0.78 JAK3 (0.51) AXLTNIKCDK8JAK2JAK3
SCHEMBL17939379 0.78 JAK3 (0.51) AXLTNIKCDK8JAK2JAK3
SCHEMBL17939436 0.78 JAK3 (0.51) AXLTNIKCDK8JAK2JAK3
SCHEMBL17939012 0.76 JAK3 (0.50) AXLTNIKCDK8JAK2PLK4
SCHEMBL17939014 0.76 JAK3 (0.50) AXLTNIKCDK8JAK2PLK4
SCHEMBL17939567 0.76 JAK3 (0.50) AXLTNIKCDK8JAK2PLK4

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-2016118951-A2 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. (US) 2016-07-28 — — WO disclosed
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