SCHEMBL5408964

SCHEMBL5408964

NC(=O)N1CCC(CCC2=C3C=NC=C[N+]3(N)C(c3ccc4ccc(-c5ccccc5)nc4c3)=N2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CHEK2 O96017 1/20 0.31
ACP1 P24666 2/20 0.31
HTR2B P41595 1/20 0.31
CYP3A4 P08684 2/20 0.30

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
SCHEMBL398344 0.86 ACP1 (0.40) ACACBACACACHEK2ACP1HTR2B
SCHEMBL396480 0.84 BTK (0.35) IGF1RACP1HTR2B
SCHEMBL401369 0.83 TNK2 (0.34) IGF1RACP1HTR2BCYP3A4
SCHEMBL402711 0.82 ACACB (0.37) ACACBACACAACP1CYP3A4
SCHEMBL401671 0.82 ACP1 (0.35) IGF1RACP1HTR2B
SCHEMBL400428 0.82 GRIN2B (0.44) GRIN2BACP1CYP3A4
SCHEMBL3047394 0.80 ACP1 (0.42) IGF1RACACBACACAACP1HTR2B
SCHEMBL399702 0.80 ACP1 (0.39) IGF1RACP1CYP3A4
SCHEMBL1315711 0.78 IGF1R (0.32) IGF1RCYP3A4
SCHEMBL398046 0.78 PDE10A (0.35) IGF1RACACBACACAACP1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed