SCHEMBL16487154

SCHEMBL16487154

Cc1nccc(-c2cccnc2N(C)C(C)C)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
P2RX7 Q99572 1/20 0.35
TACR1 P25103 2/20 0.34
NTRK1 P04629 2/20 0.33
PIM1 P11309 2/20 0.33
LATS1 O95835 1/20 0.33
LIMK1 P53667 1/20 0.33
METAP2 P50579 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
ATR Q13535 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIA2 P42262 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
PGR P06401 1/20 0.31
THRB P10828 1/20 0.31
ADRB3 P13945 1/20 0.31
OPRK1 P41145 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL16487150 0.82 MKNK1 (0.36) MKNK1MKNK2TACR1SLC22A2SLC22A1
SCHEMBL27473965 0.73 MKNK1 (0.46) MKNK1MKNK2NTRK1PIM1GPBAR1
SCHEMBL5838649 0.71 MKNK2 (0.44) MKNK1MKNK2NTRK1PIM1BLM
SCHEMBL23199045 0.70 NTRK1 (0.52) MKNK1MKNK2TACR1NTRK1PIM1
SCHEMBL27893425 0.70 CYP3A4 (0.51) MKNK1MKNK2NTRK1PIM1CYP2C19
SCHEMBL16487053 0.69 FYN (0.47) MKNK1MKNK2CYP3A4NPC1MAPT
Acetic Acid SCHEMBL27846617 0.68 NTRK1 (0.50) MKNK1MKNK2TACR1NTRK1PIM1
SCHEMBL4307227 0.68 KMO (0.47) MKNK1MKNK2TACR1GPBAR1CYP2C19
SCHEMBL14818774 0.67 NOS3 (0.42) LATS1GRIA2KCNH2NPC1RAB9A
SCHEMBL31119750 0.67 CCNC (0.53) MKNK1MKNK2NTRK1PIM1PDE3A

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
EP-3033336-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2016-06-22 EP disclosed
WO-2015022546-A1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-02-19 WO disclosed