SCHEMBL17787461

SCHEMBL17787461

CNN1CCN(c2ccc(-c3cnc4[nH]cc(-c5cnn(Cc6cccc(F)c6)c5)c4c3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.70
TNIK Q9UKE5 1/20 0.47
MAP4K1 Q92918 3/20 0.46
IL2 P60568 1/20 0.46

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
SCHEMBL15599348 0.90 ALK (0.70) ALKTNIKMAP4K1IL2
Hydrochloric Acid SCHEMBL15556679 0.89 ALK (0.70) ALKTNIKMAP4K1IL2
SCHEMBL15599282 0.88 ALK (0.67) ALKTNIKMAP4K1IL2
SCHEMBL15556454 0.88 ALK (0.69) ALKTNIK
SCHEMBL15556786 0.87 ALK (0.68) ALKTNIKMAP4K1
SCHEMBL15557244 0.87 ALK (0.65) ALKTNIKMAP4K1
SCHEMBL15556347 0.87 ALK (0.65) ALKTNIKMAP4K1
SCHEMBL15599431 0.87 ALK (0.65) ALKTNIKMAP4K1
SCHEMBL15556394 0.87 ALK (0.65) ALKMAP4K1IL2
SCHEMBL15557273 0.86 ALK (0.64) ALKTNIKMAP4K1

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-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed