SCHEMBL14536746

SCHEMBL14536746

CCc1nc([C@H]2CC[C@H](CO)CC2)n2ccnc(N)c12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.57
IGF1R P08069 5/20 0.50
PDPK1 O15530 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
INSR P06213 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
MAP2K1 Q02750 1/20 0.44

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
SCHEMBL19264256 0.85 TNK2 (0.59) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL402054 0.83 TNK2 (0.59) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL401909 0.83 TNK2 (0.59) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL14536933 0.80 TNK2 (0.59) TNK2IGF1RINSRKDRMAP2K1
SCHEMBL1567075 0.77 TNK2 (0.53) TNK2IGF1R
SCHEMBL14536736 0.75 TNK2 (0.59) TNK2IGF1R
SCHEMBL14536737 0.74 TNK2 (0.59) TNK2IGF1R
SCHEMBL13812328 0.74 TNK2 (0.48) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL19264027 0.73 TNK2 (0.46) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL13772613 0.73 TNK2 (0.69) TNK2IGF1R

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-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed