SCHEMBL18559697

SCHEMBL18559697

CNC(=O)/C(C#N)=C/C1CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.48
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
JAK3 P52333 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 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
SCHEMBL17813269 0.78 KMT2A (0.35) NEK2LMNAMAPTKMT2AMEN1
SCHEMBL15804805 0.78 KMT2A (0.35) NEK2LMNAMAPTKMT2AMEN1
SCHEMBL15804820 0.78 KMT2A (0.35) NEK2LMNAMAPTKMT2AMEN1
SCHEMBL18845455 0.77
SCHEMBL23942213 0.77
SCHEMBL11102084 0.75 EGFR (0.37) ALDH1A1KDM4EPOLB
SCHEMBL15156069 0.75 EGFR (0.37) ALDH1A1KDM4EPOLB
SCHEMBL13857888 0.75 EGFR (0.37) ALDH1A1KDM4EPOLB
SCHEMBL15710707 0.75 NEK2 (0.38) NEK2ALDH1A1KDM4ELMNAATM
SCHEMBL24091686 0.74 MEN1 (0.33) NEK2MAPTKMT2AMEN1

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
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed