SCHEMBL20115859

SCHEMBL20115859

Cc1c(C#N)ccc2c1c1ccccc1n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ TOP2A P11388 2/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 2/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39

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
SCHEMBL18030924 0.84 EGFR (0.51) IMPDH2GPR3NQO2EGFRSRC
SCHEMBL18030919 0.81 GPR3 (0.52) IMPDH2GPR3NQO2EGFRSRC
SCHEMBL16203623 0.78 KDM4E (0.59) GPR3TOP2ANQO2MAPTKDM4E
SCHEMBL18030937 0.77 KDM4E (0.50) IMPDH2GPR3EGFRSRCMAPT
SCHEMBL14313953 0.76 GPR3 (0.71) GPR3TOP2ANQO2MAPTKDM4E
SCHEMBL20115855 0.76 KDM4E (0.68) IMPDH2GPR3NQO2EGFRSRC
SCHEMBL18030933 0.73 IMPDH2 (0.46) IMPDH2GPR3TOP2ANQO2EGFR
SCHEMBL18028323 0.72 BCHE (0.43) IMPDH2GPR3EGFRSRCMAPT
SCHEMBL18030940 0.71 GPR3 (0.57) IMPDH2GPR3EGFRSRCMAPT
SCHEMBL18030917 0.71 IMPDH2 (0.46) IMPDH2GPR3EGFRSRCMAPT

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
EP-3061759-B1 NITRILE SUBSTITUTED DIBENZOFURANS IDEMITSU KOSAN CO (JP) 2019-12-25 — — EP disclosed
EP-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 — — EP disclosed
Send feedback