SCHEMBL17850421

SCHEMBL17850421

CNC1CCN(C(=O)c2ccc(-n3cc(-c4n[nH]c5ccc(F)cc45)nn3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
AXL P30530 1/20 0.40
MAPK10 P53779 4/20 0.40
MAPK8 P45983 3/20 0.40
FLT3 P36888 1/20 0.40
PAK1 Q13153 1/20 0.39
RBP4 P02753 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MGLL Q99685 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
DYRK1A Q13627 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTR2B P41595 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL10194756 0.88 L3MBTL3 (0.45) MAPK14MAPK10MAPK8FLT3RBP4
SCHEMBL10194757 0.85 JAK2 (0.49) MAPK14MAPK10MAPK8FLT3ABL1
SCHEMBL19145802 0.80 KDR (0.43) MAPK14FLT3MGLLALDH1A1HPGD
SCHEMBL10194758 0.79 ATR (0.46) MAPK10MAPK8FLT3
SCHEMBL10194762 0.78 ABL1 (0.45) MAPK14MAPK10FLT3ABL1BCR
SCHEMBL9952532 0.78 L3MBTL3 (0.45) AXLMAPK10MAPK8FLT3ABL1
SCHEMBL10194890 0.78 AXL (0.50) AXLMAPK10FLT3
SCHEMBL9953219 0.78 MGLL (0.44) AXLMAPK10MAPK8FLT3PAK1
SCHEMBL10194974 0.77 IDO1 (0.45) AXLMAPK10MAPK8FLT3PAK1
SCHEMBL10194781 0.77 JAK2 (0.49) MAPK10FLT3ABL1BCRALDH1A1

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-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed