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SCHEMBL5593261

SCHEMBL5593261

Cc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CCCCC2C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 16/20 0.38
▸ EGLN2 Q96KS0 1/20 0.37
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ S1PR1 P21453 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
SCHEMBL5593283 0.97 PDE2A (0.40) PDE2AEGLN2
SCHEMBL5593226 0.90 PDE2A (0.39) PDE2AEGLN2GLATSHRNPSR1
SCHEMBL5593485 0.88 PDE2A (0.37) PDE2AEGLN2S1PR1
SCHEMBL5593488 0.87 PDE2A (0.41) PDE2AEGLN2GLATSHRNPSR1
SCHEMBL5593183 0.87 PDE2A (0.37) PDE2AEGLN2GLATSHRNPSR1
SCHEMBL5593080 0.86 EGLN2 (0.43) PDE2AEGLN2
SCHEMBL5593335 0.85 PDE2A (0.39) PDE2AEGLN2S1PR1
SCHEMBL5593122 0.85 PAX2 (0.37) PDE2AEGLN2TSHRNPSR1
SCHEMBL8915863 0.84 TSHR (0.42) PDE2AEGLN2GLATSHRNPSR1
SCHEMBL5593427 0.84 ALDH1A1 (0.41) PDE2AEGLN2GLATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 — — WO claimed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 — — WO disclosed