SCHEMBL22066476

SCHEMBL22066476

O=C(Nc1cccc(CF)c1)c1cccc(Nc2cc(-c3cccnc3)nc3[nH]ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 6/20 0.63
▸ ABL1 P00519 6/20 0.47
▸ BCR P11274 6/20 0.47
▸ PDGFRB P09619 4/20 0.47
▸ PDGFRA P16234 4/20 0.47
▸ SRC P12931 3/20 0.47
▸ PRKCA P17252 3/20 0.47
▸ PRKCD Q05655 3/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ PRKCB P05771 1/20 0.47
▸ PRKCH P24723 1/20 0.47
▸ PRKCI P41743 1/20 0.47
▸ PRKCE Q02156 1/20 0.47
▸ PRKCQ Q04759 1/20 0.47
▸ PRKCZ Q05513 1/20 0.47
▸ PRKD1 Q15139 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ ABL2 P42684 1/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL22024706 0.87 PIKFYVE (0.78) PIKFYVEABL1BCRPDGFRBSRC
SCHEMBL22024549 0.80 PIKFYVE (0.59) PIKFYVEABL1BCRPDGFRBPDGFRA
SCHEMBL22025456 0.78 PIKFYVE (0.75) PIKFYVEABL1BCRPDGFRBPDGFRA
SCHEMBL22025126 0.78 PIKFYVE (0.74) PIKFYVEABL1BCRPDGFRBPDGFRA
SCHEMBL22024552 0.78 PIKFYVE (0.74) PIKFYVEABL1BCRPDGFRBSRC
SCHEMBL22024870 0.77 PIKFYVE (1.00) PIKFYVEABL1BCRPDGFRBSRC
SCHEMBL22024551 0.77 PIKFYVE (0.88) PIKFYVEABL1BCRPDGFRBSRC
SCHEMBL30675086 0.77 PIKFYVE (1.00) PIKFYVEABL1BCRPDGFRBSRC
SCHEMBL22024994 0.77 PIKFYVE (0.72) PIKFYVEABL1BCRPDGFRBPDGFRA
SCHEMBL22025012 0.76 PIKFYVE (0.70) PIKFYVEABL1BCRPDGFRBPDGFRA

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
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 — — EP disclosed
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