SCHEMBL30299368

SCHEMBL30299368

CC1CCN(C2CCN(c3ccc(C4(N)N=C(N)NN4)cc3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.34
AXL P30530 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 1/20 0.32
HTR1A P08908 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL29929683 0.91 AXL (0.40) SMN1; SMN2ALDH1A1AXLLMNA
SCHEMBL30090486 0.90 KCNH2 (0.39) ALDH1A1AXLKCNH2HTR1A
SCHEMBL29928123 0.90 AXL (0.39) SMN1; SMN2ALDH1A1AXL
SCHEMBL30090654 0.88 PDE3B (0.34) SMN1; SMN2HPGDALDH1A1AXLNPC1
SCHEMBL30299345 0.88 AXL (0.38) SMN1; SMN2ALDH1A1AXLLMNA
SCHEMBL30299260 0.87 VCP (0.36) AXLKCNH2HTR1A
SCHEMBL30299369 0.87 AXL (0.37) SMN1; SMN2ALDH1A1KDM4EAXLKMT2A
SCHEMBL30090687 0.86 AXL (0.38) GAAALDH1A1KDM4EAXLKMT2A
SCHEMBL30299377 0.84 PDE3B (0.34) GAASMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL30090537 0.82 TNIK (0.36) GAAKCNH2

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-116075303-A Method of selecting patients treated with a combination of an AXL inhibitor and an immune checkpoint modulator 卑尔根生物股份公司 2023-05-05 CN disclosed
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed