SCHEMBL30090486

SCHEMBL30090486

CN1CCN(C2CCN(c3ccc(C4(N)N=C(N)NN4)cc3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
AXL P30530 3/20 0.38
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK9 P50750 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FGFR3 P22607 5/20 0.34
ACVR1 Q04771 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
KDR P35968 1/20 0.34
HTR1A P08908 1/20 0.34
WEE1 P30291 1/20 0.33
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32

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) AXLCDK4EGFRALDH1A1L3MBTL1
SCHEMBL30299368 0.90 GAA (0.38) KCNH2AXLALDH1A1HTR1A
SCHEMBL29928123 0.90 AXL (0.39) AXLCDK4EGFRALDH1A1L3MBTL1
SCHEMBL30299371 0.90 ALDH1A1 (0.43) AXLALDH1A1L3MBTL1FLT3
SCHEMBL30299260 0.89 VCP (0.36) KCNH2AXLCDK4HTR1A
SCHEMBL30090686 0.89 EML4 (0.39) KCNH2EGFRFGFR3ACVR1RET
SCHEMBL30299369 0.89 AXL (0.37) AXLALDH1A1KDRHTR1AALK
SCHEMBL30090654 0.88 PDE3B (0.34) AXLALDH1A1
SCHEMBL30299345 0.88 AXL (0.38) AXLCDK4EGFRALDH1A1L3MBTL1
SCHEMBL30090687 0.88 AXL (0.38) AXLALDH1A1KDR

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 3 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
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed