SCHEMBL20157532

SCHEMBL20157532

CC(C)c1c(C#N)ccc2cc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ TAF1 P21675 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ KDM5A P29375 7/20 0.33
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ AHR P35869 1/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM5C P41229 1/20 0.32
▸ KDM5D Q9BY66 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ PHF8 Q9UPP1 1/20 0.32
▸ MCL1 Q07820 2/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL16746099 0.74 TNF (0.37) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL20314844 0.74 TNF (0.37) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL22076299 0.73 IMPDH2 (0.39) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL21178948 0.73 TNF (0.53) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL30687262 0.73 TNF (0.44) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL20314889 0.73 TNF (0.53) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL29066876 0.72 IMPDH2 (0.36) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL18876113 0.71 MCL1 (0.43) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL29492540 0.70 BRD4 (0.40) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL25596753 0.70 NR3C1 (0.40) IMPDH2IMPDH1BRD4TAF1BRPF1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
Send feedback