SCHEMBL27929263

SCHEMBL27929263

O=C(On1c(-c2csc(-c3ccccc3)n2)cc2c(-c3csc(-c4ccccc4)n3)ccnc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
NPC1 O15118 7/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
KDM4E B2RXH2 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SREBF2 Q12772 3/20 0.38
GFER P55789 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL99513 0.83 RAB9A (0.43) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL15398600 0.71 ECE1 (0.40) RAB9ASMN1; SMN2NPC1CASP3SENP8
Trifluoroacetic Acid SCHEMBL29540593 0.70 ROCK1 (0.58) RAB9ASMN1; SMN2NPC1CASP3SENP8
Trifluoroacetic Acid SCHEMBL99512 0.70 ROCK1 (0.58) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL98793 0.64 HDAC6 (0.42) RAB9ASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL30279818 0.63 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL21479755 0.63 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL98272 0.62 ROCK1 (0.62) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4082160 0.62 HDAC6 (0.39) RAB9ASMN1; SMN2NPC1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL15398599 0.62 KDM4E (0.42) RAB9ASMN1; SMN2NPC1CASP3SENP8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214484-B Pyrrolo-[2,3-b] pyridine replaced as the heteroaryl of Janus inhibitors of kinases and pyrrolo-[2,3-b] pyrimidine 因塞特控股公司 2016-07-06 CN disclosed
CN-103214483-B Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2014-12-17 CN disclosed
CN-103254190-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-08-21 CN disclosed
CN-103214484-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP A DELAWARE CORP 2013-07-24 CN disclosed
CN-103214483-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-07-24 CN disclosed