SCHEMBL30299272

SCHEMBL30299272

NC1=NC(N)(c2ccc(C=CCN3CCCCC3)cc2)NN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
HRH3 Q9Y5N1 2/20 0.42
APP P05067 1/20 0.35
MAPK1 P28482 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33

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
SCHEMBL30299400 0.99 LTA4H (0.47) LTA4HHRH3APPMAPK1SIGMAR1
SCHEMBL30299358 0.89 GPR4 (0.43) LTA4HHRH3ALDH1A1TSHROPRM1
SCHEMBL30299395 0.88 TSHR (0.38) LTA4HMAPK1SIGMAR1LMNAALDH1A1
SCHEMBL30299386 0.88 SIGMAR1 (0.40) LTA4HHRH3MAPK1SIGMAR1LMNA
SCHEMBL30299348 0.88 GPR4 (0.42) LTA4HHRH3LMNAALDH1A1TSHR
SCHEMBL30299279 0.87 LTA4H (0.36) LTA4HHRH3APPMAPK1SIGMAR1
SCHEMBL30299374 0.85 SMN1; SMN2 (0.35) LTA4HLMNAKDM4ESMN1; SMN2GAA
SCHEMBL30299394 0.85 GPR4 (0.43) HRH3MAPK1SIGMAR1LMNAALDH1A1
SCHEMBL30299399 0.81 GPR4 (0.37) SIGMAR1LMNAALDH1A1TSHRKDM4E
SCHEMBL30299397 0.79 ALDH1A1 (0.33) HRH3SIGMAR1ALDH1A1HTR2AHRH1

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