SCHEMBL29640774

SCHEMBL29640774

O=C1C=C(c2ccc(F)nc2)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 5/20 0.38
JAK2 O60674 1/20 0.38
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
GSK3A P49840 1/20 0.38
RPS6KA3 P51812 1/20 0.38
LIMK1 P53667 1/20 0.38
MAP2K1 Q02750 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK14 Q16539 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALK Q9UM73 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL16679006 1.00 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3223866 0.77 GRM2 (0.38) MAPTMAPK14HPGD
SCHEMBL18190316 0.69 JAK2 (0.42) MAPTJAK2KDRMAP2K1HPGD
SCHEMBL11096436 0.69 KIF11 (0.43) KDR
SCHEMBL15936585 0.69 HPGD (0.56) MAPTCLK4DYRK1BHPGD
SCHEMBL26104326 0.69 CYP2A6 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20037424 0.65 HPGDS (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20255226 0.65 HPGD (0.35) HPGD
SCHEMBL31198736 0.63 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5039645 0.63 NPY5R (0.48) PDE3BPDE3AMAPTJAK2RET

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-112218857-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2023-11-21 CN disclosed
CN-114450005-A Compounds for the treatment of neurological disorders 星座制药公司 2022-05-06 CN disclosed