SCHEMBL20194129

SCHEMBL20194129

N=C(NC(=O)C1CC1)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
PBRM1 Q86U86 1/20 0.44
GAA P10253 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
MGLL Q99685 1/20 0.40
DDX3X O00571 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL20194123 0.93 ALDH1A1 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL8302175 0.79 F2 (0.56) F2PLGPRSS1PRSS2PRSS3
SCHEMBL6173497 0.75 MGLL (0.57) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194121 0.74 F2 (0.46) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194124 0.74 F2 (0.46) F2PLGPRSS1PRSS2PRSS3
SCHEMBL10401280 0.74 F2 (0.46) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20119475 0.72 P4HB (0.37) GAASMN1; SMN2HPGDLMNAPOLB
Bicarbonate SCHEMBL11473808 0.72 MGLL (0.55) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4230443 0.72 DDX3X (0.65) GAADDX3XSMN1; SMN2NPSR1HPGD
SCHEMBL2481253 0.71 F2 (0.59) F2PLGPRSS1PRSS2PRSS3

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-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed