SCHEMBL29928610

SCHEMBL29928610

Cc1nc(-n2nc(N)nc2N)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AXL P30530 2/20 0.47
INSR P06213 1/20 0.47
ATM Q13315 1/20 0.45
KDR P35968 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
NUDT1 P36639 1/20 0.44
PDPK1 O15530 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GPR3 P46089 1/20 0.40

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
SCHEMBL29929666 0.78 TLR7 (0.55) KMT2AALDH1A1RAB9ABACE1
SCHEMBL12014862 0.69 MEN1 (0.55) MEN1KMT2AATMKDRHSD17B10
SCHEMBL3340310 0.69 DCPS (0.63) KMT2AHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL29663295 0.69 DCPS (0.63) KMT2AHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL8942018 0.69 TSHR (0.58) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL29927588 0.69 AXL (0.51) AXLATMALDH1A1HRH4SMN1; SMN2
SCHEMBL13992609 0.68 MEN1 (0.94) MEN1KMT2AATMHSD17B10ALDH1A1
SCHEMBL6181854 0.67 HTT (0.47) KMT2AALDH1A1NUDT1KDM4ELMNA
SCHEMBL31663100 0.67 KMT2A (0.97) MEN1KMT2AATMHSD17B10ALDH1A1
SCHEMBL28855851 0.65 LMNA (0.52) MEN1KMT2AATMKDRHSD17B10

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-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed