SCHEMBL22911701

SCHEMBL22911701

CNc1ccc(-c2ccc(I)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.42
APP P05067 6/20 0.41
PTPN2 P17706 2/20 0.41
AURKA O14965 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
CDK8 P49336 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MAP4K2 Q12851 1/20 0.40
ROCK1 Q13464 1/20 0.40
NTRK3 Q16288 1/20 0.40

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
SCHEMBL1744310 0.83 PTPN1 (0.55) PTPN1APPPTPN2AURKAABL1
SCHEMBL6673320 0.83 AURKA (0.55) PTPN1APPPTPN2AURKAABL1
SCHEMBL9057614 0.81 BAZ2B (0.53) PTPN1PTPN2BAZ2B
SCHEMBL3152503 0.80 CCR1 (0.46) PTPN1APPPTPN2AURKAABL1
SCHEMBL14355084 0.79 CYP11B1 (0.45) PTPN1PTPN2AURKAABL1NTRK1
SCHEMBL23742279 0.78 PTPN1 (0.50) PTPN1APPPTPN2AURKAABL1
SCHEMBL22678028 0.76 CCR1 (0.56) PTPN1APPPTPN2AURKAABL1
SCHEMBL19018467 0.75 CCR1 (0.60) AURKAABL1NTRK1LCKCSF1R
SCHEMBL16285506 0.72 KIF11 (0.45) PTPN1APPPTPN2KIF11
SCHEMBL2540113 0.72

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-3766875-A1 COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER, AN ORGANIC ELECTRONIC DEVICE, A DISPLAY DEVICE AND A LIGHTING DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2021-01-20 EP disclosed