SCHEMBL23601157

SCHEMBL23601157

Cc1cc(-c2cnc(C3CC3)cn2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL22198919 0.82 DAPK3 (0.47) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL24721358 0.81 ALOX5AP (0.38) KCNH2
SCHEMBL15262893 0.76 PTGS1 (0.35)
SCHEMBL23601152 0.76 NISCH (0.40) PIM1PDE10A
SCHEMBL23601694 0.75 KDM1A (0.50) SLC9A1
SCHEMBL22186135 0.74 OXTR (0.43) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL22185940 0.74 IDH1 (0.44) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL23601162 0.74 CYP11B1 (0.34) PIM1PDE10AKCNH2CYP11B2
SCHEMBL19248552 0.72 NPC1 (0.43) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL16088914 0.72 HSD17B1 (0.42) AURKADAPK3JAK2PRKD3MAP4K4

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed