SCHEMBL29048993

SCHEMBL29048993

Nc1ncc2cc(OC(=O)c3ccccc3)nc(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.38
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CDC7 O00311 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL25271973 0.81 SMN1; SMN2 (0.40) KMT2AMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL31164075 0.79 NPC1 (0.36) KMT2ASMN1; SMN2LMNAMEN1GRM5
SCHEMBL25277384 0.78 KMT2A (0.42) KMT2AMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL27548231 0.73 PARP10 (0.54) KMT2AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL27552383 0.72 PARP10 (0.42) KMT2AMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL27550238 0.68 PARP10 (0.57) KMT2AMAPTSMN1; SMN2MEN1TDP1
SCHEMBL28043724 0.68 NUDT1 (0.61) KMT2AMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL22557648 0.67 KMT2A (0.47) KMT2AMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL27633082 0.67 KMT2A (0.51) KMT2AMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL9098390 0.67 KMT2A (0.40) KMT2AMAPTHPGDKDM4ESMN1; SMN2

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
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