SCHEMBL21394981

SCHEMBL21394981

Cn1cc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
GSK3B P49841 4/20 0.46
DYRK1A Q13627 4/20 0.46
CSF1R P07333 1/20 0.46
WNT1 P04628 2/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
ABCB1 P08183 2/20 0.44
ABCC1 P33527 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EP300 Q09472 1/20 0.42
NTRK1 P04629 1/20 0.42
DHX9 Q08211 1/20 0.42
MAP4K1 Q92918 1/20 0.42
MET P08581 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 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
SCHEMBL21394681 0.93 SMN1; SMN2 (0.48) SMN1; SMN2GSK3BDYRK1ACSF1RWNT1
SCHEMBL21395080 0.90 SMN1; SMN2 (0.50) SMN1; SMN2GSK3BDYRK1ACSF1RWNT1
SCHEMBL21394784 0.83 GCK (0.44) SMN1; SMN2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL29356925 0.83 GCK (0.44) SMN1; SMN2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL29442864 0.82 ALDH1A1 (0.50) GSK3BDYRK1ACSF1RWNT1ALDH1A1
SCHEMBL21394827 0.82 ALDH1A1 (0.50) GSK3BDYRK1ACSF1RWNT1ALDH1A1
SCHEMBL21394395 0.81 KDM4E (0.49) SMN1; SMN2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL21395156 0.81 KDM4E (0.42) SMN1; SMN2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL21394958 0.81 P2RX3 (0.42) SMN1; SMN2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL21395009 0.80 PARP1 (0.53) SMN1; SMN2ABCB1ABCC1LMNAALDH1A1

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