SCHEMBL6396107

SCHEMBL6396107

CCc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc32)c(CC)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.68
▸ MET P08581 3/20 0.52
▸ SRC P12931 9/20 0.51
▸ KDR P35968 4/20 0.48
▸ FGFR1 P11362 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LCK P06239 3/20 0.47
▸ FYN P06241 3/20 0.47
▸ YES1 P07947 3/20 0.47
▸ PDGFRB P09619 3/20 0.47
▸ AURKA O14965 6/20 0.46
▸ AURKB Q96GD4 6/20 0.46

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
SCHEMBL6396110 1.00 PRKDC (0.68) PRKDCMETSRCKDRFGFR1
SCHEMBL2115334 0.85 MET (0.70) PRKDCMETSRCKDRFGFR1
SCHEMBL2115337 0.85 MET (0.70) PRKDCMETSRCKDRFGFR1
SCHEMBL6796402 0.81 PRKDC (1.00) PRKDCSRCKDRFGFR1LCK
SCHEMBL29467770 0.81 PRKDC (1.00) PRKDCSRCKDRFGFR1LCK
SCHEMBL6796396 0.81 PRKDC (1.00) PRKDCSRCKDRFGFR1LCK
SCHEMBL29399522 0.74 MET (0.70) METSRCKDRFGFR1MEN1
SCHEMBL3798305 0.73 AURKA (0.64) PRKDCMETSRCKDRFGFR1
SCHEMBL3798297 0.73 AURKA (0.64) PRKDCMETSRCKDRFGFR1
SCHEMBL143738 0.71 KDR (0.69) METSRCKDRFGFR1MEN1

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-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 — — US disclosed
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