SCHEMBL6740482

SCHEMBL6740482

CCC1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(Sc6nccn6C)c(Cl)c5)c(C#N)cnc4c3)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.60
SRC P12931 2/20 0.60
IKBKB O14920 1/20 0.60
EGFR P00533 1/20 0.60
LYN P07948 1/20 0.60
BRAF P15056 1/20 0.60
RPS6KB1 P23443 1/20 0.60
KDR P35968 1/20 0.60
PRKCQ Q04759 1/20 0.60
PDK1 Q15118 1/20 0.60
IGF1R P08069 4/20 0.57
MAPK3 P27361 1/20 0.55
MAPK1 P28482 1/20 0.55
MAP3K1 Q13233 1/20 0.55

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
SCHEMBL3221719 0.94 MAP2K1 (0.61) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3228928 0.92 MAP2K1 (0.70) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3219604 0.92 MAP2K1 (0.71) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3227776 0.91 MAP2K1 (0.62) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3228827 0.91 IGF1R (0.59) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3224280 0.91 MAP2K1 (0.58) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3231921 0.90 MAP2K1 (0.64) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3224442 0.90 MAP2K1 (0.70) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3216370 0.89 MAP2K1 (0.63) MAP2K1SRCIKBKBEGFRLYN
SCHEMBL3230646 0.87 MAP2K1 (0.73) MAP2K1SRCIKBKBEGFRLYN

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