SCHEMBL467749

SCHEMBL467749

CC(C)N1CCN(C2CCN(c3ccc(-n4nc(N)nc4N)cc3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.40
VCP P55072 1/20 0.40
INSR P06213 1/20 0.37
KDR P35968 1/20 0.37
HTR1A P08908 7/20 0.35
CSF1R P07333 1/20 0.34
CDK4 P11802 1/20 0.34
CDK6 Q00534 1/20 0.34
F12 P00748 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
KCNH2 Q12809 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
SCHEMBL467696 0.89 AXL (0.43) AXLVCPINSRKDRHTR1A
SCHEMBL467659 0.87 AXL (0.49) AXLINSRKDRCSF1RCDK4
SCHEMBL467478 0.87 AXL (0.42) AXLINSRKDRHTR1AKCNH2
SCHEMBL27769653 0.85 AXL (0.42) AXLINSRKDR
SCHEMBL467833 0.85 AXL (0.47) AXLINSRKDRCSF1RCDK4
SCHEMBL27790975 0.84 AXL (0.47) AXLINSRKDRF12
SCHEMBL30090809 0.84 AXL (0.47) AXLINSRKDRF12
SCHEMBL467792 0.81 AXL (0.44) AXLINSRKDR
SCHEMBL467601 0.79 FLT3 (0.36) AXLINSRKDR
SCHEMBL467949 0.77 EML4 (0.42) VCPACVR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN claimed
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
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN disclosed