SCHEMBL21974573

SCHEMBL21974573

N#CCCc1cccc(OCC#N)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
FFAR1 O14842 1/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
GUSB P08236 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CTSA P10619 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL509575 0.81 FFAR1 (0.48) FFAR1CTSA
SCHEMBL22627151 0.81 FFAR1 (0.42) MEN1KMT2AFFAR1CYP4F2CYP4A11
SCHEMBL3015067 0.81 MEN1 (0.56) MEN1KMT2APPARGPPARA
SCHEMBL31391955 0.81 FFAR1 (0.44) MEN1KMT2AFFAR1CYP4F2CYP4A11
SCHEMBL1233549 0.81 MEN1 (0.66) MEN1KMT2ATAAR1CHRM2CHRM1
SCHEMBL4850094 0.81 TSHR (0.49) MEN1KMT2AFFAR1CYP4F2CYP4A11
SCHEMBL14122832 0.81 FFAR1 (0.44) MEN1KMT2AFFAR1CYP4F2CYP4A11
SCHEMBL4487429 0.81 KDM4E (0.49) FFAR1
SCHEMBL4849887 0.81 FFAR1 (0.44) MEN1KMT2AFFAR1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL25369506 0.79 MAOB (0.46) FFAR1TAAR1

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
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed