SCHEMBL6838909

SCHEMBL6838909

CN1CCN(Cc2ccc3c(Nc4ccc(Sc5ccccc5)c(Cl)c4)c(C#N)cnc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.59
SRC P12931 7/20 0.55
IKBKB O14920 1/20 0.54
EGFR P00533 1/20 0.54
LYN P07948 1/20 0.54
BRAF P15056 1/20 0.54
RPS6KB1 P23443 1/20 0.54
KDR P35968 1/20 0.54
PRKCQ Q04759 1/20 0.54
PDK1 Q15118 1/20 0.54
FYN P06241 1/20 0.54
IGF1R P08069 2/20 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
SCHEMBL3228926 0.95 SRC (0.61) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3227985 0.89 SRC (0.61) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3232734 0.88 SRC (0.62) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3228605 0.87 SRC (0.65) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL5253249 0.87 SRC (0.64) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3227823 0.86 SRC (0.64) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3223808 0.86 SRC (0.56) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3228240 0.85 SRC (0.60) MAP2K1SRCEGFRKDRFYN
SCHEMBL3232113 0.84 SRC (0.53) MAP2K1SRCEGFRKDRFYN
SCHEMBL3230525 0.82 SRC (0.52) MAP2K1SRCEGFRKDRFYN

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-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed