SCHEMBL22923929

SCHEMBL22923929

Cc1c(C2CCN(C)CC2)cn(-c2ccc(F)cc2)c(=O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
HTR1B P28222 1/20 0.44
HTR6 P50406 1/20 0.44
HTR2A P28223 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL22923842 0.92 LMNA (0.45) DRD2LMNAKDM4EMEN1KMT2A
SCHEMBL22923843 0.80 MEN1 (0.49) LMNAKDM4EMEN1KMT2A
SCHEMBL22923930 0.76 MEN1 (0.45) DRD2HTR6LMNAMEN1KMT2A
SCHEMBL30367422 0.76 LMNA (0.51) LMNAKDM4EMEN1KMT2A
SCHEMBL22924008 0.75 ALDH1A1 (0.46) LMNAMEN1KMT2A
SCHEMBL22923879 0.73 LMNA (0.49) LMNAKDM4EMEN1KMT2A
SCHEMBL22923858 0.73 LMNA (0.49) LMNAKDM4EMEN1KMT2A
SCHEMBL22923883 0.71 KDM4E (0.40) DRD2LMNAKDM4E
SCHEMBL9731087 0.71 LMNA (0.69) DRD2HTR1BHTR6HTR2ALMNA
SCHEMBL22923863 0.70 LMNA (0.52) LMNAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021012717-A1 ANTITUMOR COMPOUND USED AS AXL INHIBITOR AND USE THEREOF 南京华威医药科技集团有限公司 2021-01-28 WO disclosed