SCHEMBL29958035

SCHEMBL29958035

OB(O)c1cnc2c(-c3ccccc3)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
DYRK1A Q13627 3/20 0.43
BRD4 O60885 1/20 0.41
AXL P30530 4/20 0.40
CDK8 P49336 1/20 0.40
TNIK Q9UKE5 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CDK2 P24941 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38
CDK1 P06493 1/20 0.38
FES P07332 1/20 0.38
IGF1R P08069 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 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
SCHEMBL29955543 0.77 JAK2 (0.67) JAK2DYRK1AAXLCDK8TNIK
SCHEMBL29953852 0.72 AXL (0.43) JAK2BRD4AXLCDK8TNIK
SCHEMBL2785518 0.70 HASPIN (0.44) JAK2DYRK1ABRD4AXLCDK8
SCHEMBL26916620 0.70 USP7 (0.55) BRD4MAP4K4FGFR1KDRMGLL
SCHEMBL17179382 0.67 IMPDH2 (0.49) JAK2DYRK1AAXLCDK8TNIK
SCHEMBL26314551 0.66 CCR1 (0.46) CA1CA2
SCHEMBL29954977 0.65 GABRA1 (0.46)
SCHEMBL21125562 0.64 NPC1 (0.58) MGLLCA1CA2
SCHEMBL7507729 0.64 KDR (0.47) JAK2DYRK1ABRD4AXLCDK8
SCHEMBL17111438 0.64 MGLL (0.43) MGLLCA1CA2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed