SCHEMBL25277384

SCHEMBL25277384

O=C(Oc1cc2cnc(Cl)cc2c(Cl)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABL1 P00519 1/20 0.37
GRM5 P41594 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
F2 P00734 1/20 0.34
JAK2 O60674 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29049027 0.83 MAPT (0.44) KMT2AMAPTMEN1LMNAESR1
SCHEMBL30460852 0.83 MAPT (0.44) KMT2AMAPTMEN1LMNAESR1
SCHEMBL25277576 0.82 KMT2A (0.38) KMT2AMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL25235050 0.80 TDP1 (0.43) KMT2AMAPTMEN1TDP1LMNA
SCHEMBL29048993 0.78 KMT2A (0.41) KMT2AMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL31164103 0.77 NPC1 (0.40) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25271973 0.75 SMN1; SMN2 (0.40) KMT2AMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL10656685 0.69 KMT2A (0.48) KMT2AMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL25277385 0.68 ABL1 (0.49) KMT2ASMN1; SMN2KDM4EMEN1LMNA
SCHEMBL27633082 0.68 KMT2A (0.51) KMT2AMAPTSMN1; SMN2KDM4EMEN1

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
CN-116354957-A CDK9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2023-06-30 CN disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed