SCHEMBL10621652

SCHEMBL10621652

COc1c(S(=O)(=O)O)cc(Nc2ncnc(Nc3cc(S(=O)(=O)O)c(OC)c(Cl)c3S(=O)(=O)O)n2)c(S(=O)(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.42
▸ EPHB4 P54760 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ TNNI3K Q59H18 1/20 0.34
▸ ALK Q9UM73 1/20 0.33

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
SCHEMBL10621767 0.85 PTK2 (0.42) PTK2EPHB4FGFR1FGFR2FGFR4
SCHEMBL11134269 0.75 PTK2 (0.43) PTK2EPHB4FGFR1FGFR2FGFR4
SCHEMBL10621173 0.71 LMNA (0.41) PTK2KDRLRRK2TNNI3K
SCHEMBL11135444 0.70 PTK2 (0.43) PTK2EPHB4FGFR1FGFR2FGFR4
SCHEMBL10621643 0.68 CHAT (0.39) PTK2AURKBTNNI3K
SCHEMBL11135043 0.68 LMNA (0.39) PTK2LRRK2TNNI3K
SCHEMBL30738234 0.66 L3MBTL1 (0.39) —
SCHEMBL741018 0.66 L3MBTL1 (0.39) —
SCHEMBL14614602 0.66 CA1 (0.38) PTK2FGFR1FGFR2FGFR4FGFR3
SCHEMBL10621640 0.65 CASR (0.44) PTK2EPHB4LRRK2TNNI3K

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748236-A Azo dyestuffs having sulpho ortho to azo bridge and containing two triazine reactive groups BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 — — US disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 — — US disclosed
EP-0053320-A2 Process for the preparation of phthalocyanin compounds BAYER AG (DE) 1982-06-09 — — EP disclosed
EP-0047863-A2 Reactive phthalocyanine hyes, process for their preparation and their use in dyeing materials containing hydroxyle groups and/or nitrogen BAYER AG (DE) 1982-03-24 — — EP disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 — — US disclosed
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