SCHEMBL29685647

SCHEMBL29685647

O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NSD2 O96028 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL23274286 1.00 STAT3 (0.40) STAT3MAPTSMN1; SMN2HTTMEN1
SCHEMBL23274673 0.94 SMN1; SMN2 (0.44) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL29684752 0.94 SMN1; SMN2 (0.44) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL23274496 0.94 STAT3 (0.39) STAT3MAPTSMN1; SMN2HTTMEN1
SCHEMBL23274450 0.94 STAT3 (0.39) STAT3MAPTSMN1; SMN2HTTMEN1
SCHEMBL23274493 0.94 SMN1; SMN2 (0.43) STAT3MAPTSMN1; SMN2HTTMEN1
SCHEMBL29685287 0.93 TP53 (0.40) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL23274620 0.93 TP53 (0.40) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL23275482 0.92 STAT3 (0.40) STAT3MAPTSMN1; SMN2HTTMEN1
SCHEMBL29685506 0.92 STAT3 (0.40) STAT3MAPTSMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114667282-B Pyrimidine amide compounds and methods of treating cancer 昊运股份有限公司 2024-09-03 CN claimed
CN-114667282-B Pyrimidine amide compounds and methods of treating cancer 昊运股份有限公司 2024-09-03 CN disclosed
EP-4048656-A1 PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF Alphala Co., Ltd. (TW) 2022-08-31 EP disclosed
CN-114667282-A Pyrimidine amide compounds and methods of treating cancer 昊运股份有限公司 2022-06-24 CN disclosed