SCHEMBL8060255

SCHEMBL8060255

Cn1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)c2cc(F)c(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ RAPGEF3 O95398 2/20 0.36
▸ ELANE P08246 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL8061148 0.90 SRC (0.43) MAPTRAPGEF3ELANEKDM4ESMN1; SMN2
Water SCHEMBL8066910 0.86 KDM4E (0.49) ELANEKDM4ECYP1A2CYP2C19S1PR1
SCHEMBL8060667 0.86 KDM4E (0.49) ELANEKDM4ECYP1A2CYP2C19S1PR1
SCHEMBL8060382 0.83 KDM4E (0.46) MAPTRAPGEF3ELANEKDM4ESMN1; SMN2
SCHEMBL8060286 0.83 HTR3A (0.45) MAPTELANEKDM4ESMN1; SMN2LMNA
SCHEMBL8131769 0.80 SRC (0.37) MAPTELANEKDM4ECYP1A2CYP2C19
SCHEMBL8061142 0.78 KDM4E (0.44) MAPTELANEIMPDH2KDM4EKMT2A
SCHEMBL8060295 0.78 RAPGEF3 (0.48) MAPTRAPGEF3ELANEKDM4ECYP1A2
SCHEMBL8066629 0.78 DHODH (0.41) MAPTELANEIMPDH2SMN1; SMN2KMT2A
SCHEMBL8066627 0.78 DHODH (0.41) MAPTELANEIMPDH2SMN1; SMN2KMT2A

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
EP-1001941-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-05-24 — — EP claimed
WO-1999006375-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-02-11 — — WO claimed
EP-1001941-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-05-24 — — EP disclosed
WO-1999006375-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-02-11 — — WO disclosed
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