SCHEMBL16748939

SCHEMBL16748939

Cc1ncc(COc2cc(I)cc(Oc3ccc(-c4nc([C@H]5C[C@@H](N6CCN(C)CC6)C5)n5ccnc(N)c45)cc3)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 13/20 0.65
▸ IGF1R P08069 6/20 0.52
▸ BTK Q06187 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK3 P27361 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPK6 Q16659 1/20 0.51

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
SCHEMBL16748832 0.93 TNK2 (0.65) TNK2IGF1RBTKCYP3A4MAPK3
SCHEMBL18099760 0.84 TNK2 (0.66) TNK2IGF1RBTKCYP3A4MAPK3
SCHEMBL16748813 0.82 BTK (0.67) TNK2BTK
SCHEMBL16748848 0.81 BTK (0.65) TNK2IGF1RBTK
SCHEMBL16748938 0.80 TNK2 (0.63) TNK2BTK
SCHEMBL1129353 0.80 TNK2 (1.00) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL4360606 0.80 TNK2 (1.00) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL16748810 0.80 BTK (0.63) TNK2BTK
SCHEMBL16748774 0.80 BTK (0.63) TNK2BTK
SCHEMBL18099741 0.78 BTK (0.60) TNK2BTK

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-2015074138-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-05-28 — — WO disclosed
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