SCHEMBL4869423

SCHEMBL4869423

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCNCC1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.87
MAP2K1 Q02750 14/20 0.73
MAPK3 P27361 1/20 0.71
MAPK1 P28482 1/20 0.71
MAP3K1 Q13233 1/20 0.71
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59

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
SCHEMBL2979108 0.93 IGF1R (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
Balamapimod SCHEMBL2965207 0.89 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
Balamapimod SCHEMBL30104249 0.89 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4443456 0.88 IGF1R (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2962949 0.88 IGF1R (0.87) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2974425 0.88 IGF1R (0.80) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2963305 0.88 IGF1R (0.87) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2971481 0.87 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2968693 0.87 IGF1R (0.78) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2971320 0.85 IGF1R (0.88) IGF1RMAP2K1MAPK3MAPK1MAP3K1

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-7449460-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2008-11-11 US disclosed