SCHEMBL8314546

SCHEMBL8314546

Nc1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.77
NTRK1 P04629 6/20 0.70
DYRK1A Q13627 3/20 0.67
CLK1 P49759 2/20 0.67
DYRK2 Q92630 2/20 0.67
DYRK1B Q9Y463 2/20 0.67
MAP3K11 Q16584 1/20 0.64
CCNT1 O60563 1/20 0.63
CCNA2 P20248 1/20 0.63
CDK2 P24941 1/20 0.63
CDK9 P50750 1/20 0.63
KIT P10721 3/20 0.60
AXL P30530 2/20 0.55
TNIK Q9UKE5 1/20 0.55
IMPDH2 P12268 1/20 0.54
PIK3CA P42336 2/20 0.53
SGK1 O00141 1/20 0.51

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
SCHEMBL13745264 0.84 CDK8 (0.72) CDK8NTRK1DYRK1ACLK1DYRK2
SCHEMBL18576768 0.83 NTRK1 (1.00) CDK8NTRK1DYRK1ACLK1DYRK2
SCHEMBL3761982 0.82 DYRK1A (0.75) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL3771378 0.81 SGK1 (0.70) CDK8NTRK1DYRK1ACLK1DYRK2
SCHEMBL3764839 0.81 AXL (0.83) CDK8NTRK1DYRK1ACLK1DYRK2
SCHEMBL3767902 0.80 MAP3K11 (0.70) CDK8NTRK1DYRK1AMAP3K11CCNT1
SCHEMBL12763233 0.79 CDK8 (0.76) CDK8NTRK1DYRK1ACLK1DYRK2
SCHEMBL20564684 0.79 CDK8 (0.67) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL722564 0.79 MAP3K11 (1.00) CDK8NTRK1DYRK1ACLK1DYRK2
SCHEMBL3770685 0.78 AXL (0.72) CDK8NTRK1DYRK1ACLK1DYRK2

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-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed