SCHEMBL11134269

SCHEMBL11134269

COc1c(Cl)cc(S(=O)(=O)O)cc1Nc1ncnc(Nc2cc(S(=O)(=O)O)cc(Cl)c2OC)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.43
▸ LRRK2 Q5S007 5/20 0.43
▸ EPHB4 P54760 2/20 0.43
▸ TNNI3K Q59H18 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.36
▸ AURKB Q96GD4 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
SCHEMBL11135444 0.85 PTK2 (0.43) PTK2LRRK2EPHB4TNNI3KFGFR1
SCHEMBL10621640 0.83 CASR (0.44) PTK2LRRK2EPHB4TNNI3K
SCHEMBL11856695 0.75 ALDH1A1 (0.46) —
SCHEMBL10621652 0.75 PTK2 (0.42) PTK2LRRK2EPHB4TNNI3KFGFR1
SCHEMBL5082248 0.74 ALDH1A1 (0.44) —
SCHEMBL11131894 0.72 CDK2 (0.37) PTK2LRRK2TNNI3K
SCHEMBL10621767 0.70 PTK2 (0.42) PTK2LRRK2EPHB4FGFR1FGFR2
SCHEMBL14614602 0.70 CA1 (0.38) PTK2LRRK2TNNI3KFGFR1FGFR2
SCHEMBL11344310 0.68 NT5E (0.41) —
SCHEMBL18902955 0.68 TNNI3K (0.40) LRRK2TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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