SCHEMBL7249493

SCHEMBL7249493

COc1cc(Nc2ccnc3cc(-c4ccc(CNCCCN5CCOCC5)cn4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.59
EGFR P00533 1/20 0.51
FYN P06241 1/20 0.51
MAP2K1 Q02750 1/20 0.51
RET P07949 1/20 0.49
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47

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
SCHEMBL3215738 0.86 SRC (0.80) SRCEGFRFYNMAP2K1ABL1
SCHEMBL7247799 0.83 RET (0.47) SRCEGFRMAP2K1RET
SCHEMBL7247623 0.83 SRC (0.56) SRCFYN
SCHEMBL3230492 0.79 SRC (0.82) SRCEGFRFYNMAP2K1ABL1
SCHEMBL7249188 0.78 MAP2K1 (0.46) SRCMAP2K1RET
SCHEMBL7148769 0.78 SRC (0.59) SRCEGFRFYNMAP2K1ABL1
SCHEMBL7104720 0.75 SRC (0.72) SRCEGFRFYNMAP2K1
SCHEMBL3222377 0.75 SRC (0.70) SRCEGFRFYNMAP2K1
SCHEMBL3224349 0.74 SRC (1.00) SRCEGFRFYNMAP2K1
SCHEMBL7148997 0.74 SRC (0.73) SRCEGFRFYNMAP2K1

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-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed