SCHEMBL6739999

SCHEMBL6739999

Cc1ccccc1N(C)CCNCc1cc(-c2ccc3c(Nc4c(C)cc(-c5csc(CNCCN(C)C)c5)cc4Cl)c(C#N)cnc3c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.45
FYN P06241 4/20 0.45
MELK Q14680 1/20 0.36
EGFR P00533 1/20 0.36
MAP2K1 Q02750 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL3224900 0.93 SRC (0.49) SRCFYNMELKEGFRMAP2K1
SCHEMBL3222029 0.82 SRC (0.46) SRCFYNMELKEGFRMAP2K1
SCHEMBL3221456 0.82 SRC (0.47) SRCFYNMELKEGFRMAP2K1
SCHEMBL3222427 0.80 SRC (0.47) SRCFYNEGFRMAP2K1
SCHEMBL3229968 0.80 SRC (0.49) SRCFYNEGFRMAP2K1ABL1
SCHEMBL3228093 0.80 SRC (0.70) SRCFYNEGFRMAP2K1ABL1
SCHEMBL3229093 0.79 SRC (0.46) SRCFYNEGFRMAP2K1ABL1
SCHEMBL3222335 0.79 MAP2K1 (0.48) SRCFYNEGFRMAP2K1
SCHEMBL3221346 0.78 EGFR (0.52) SRCFYNEGFRMAP2K1
SCHEMBL3223162 0.78 SRC (0.58) SRCFYNEGFRMAP2K1

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