SCHEMBL30299369

SCHEMBL30299369

NC1=NC(N)(c2ccc(N3CCN(C4CCCC4)CC3)c(F)c2)NN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.37
INSR P06213 1/20 0.37
KDR P35968 1/20 0.37
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 2/20 0.32
HTR1A P08908 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
ALK Q9UM73 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
SCHEMBL30090687 0.99 AXL (0.38) AXLINSRKDRABCB1ALDH1A1
SCHEMBL29929683 0.92 AXL (0.40) AXLALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL30299345 0.91 AXL (0.38) AXLINSRKDRALDH1A1LMNA
SCHEMBL29928123 0.91 AXL (0.39) AXLALDH1A1SMN1; SMN2HRH3
SCHEMBL30090486 0.89 KCNH2 (0.39) AXLKDRALDH1A1HTR1AALK
SCHEMBL30299325 0.89 ROCK2 (0.32) AXLALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL30299388 0.87 ROCK2 (0.34) AXLALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL30299368 0.87 GAA (0.38) AXLALDH1A1LMNAMAPTMAPK1
SCHEMBL30090654 0.87 PDE3B (0.34) AXLALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL30299298 0.86 ALDH1A1 (0.32) AXLALDH1A1SMN1; SMN2HRH3

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