SCHEMBL21394714

SCHEMBL21394714

Cc1cc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)nc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.45
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 2/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL21394779 0.89 GPR6 (0.41) GRM5
SCHEMBL29356981 0.89 GPR6 (0.41) GRM5
SCHEMBL21395179 0.84 GCK (0.42) CYP3A4
SCHEMBL21394938 0.84 TMPRSS4 (0.47) KCNH2
SCHEMBL21395002 0.83 TMPRSS4 (0.41) CYP3A4
SCHEMBL21394745 0.82 TMPRSS4 (0.39) CYP3A4
SCHEMBL21395016 0.82 CHEK1 (0.40) CYP3A4
SCHEMBL21394875 0.81 EP300 (0.42)
SCHEMBL29358580 0.81 EP300 (0.42)
SCHEMBL21394731 0.80 CYP3A4 (0.42) CYP3A4

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed