SCHEMBL7328650

SCHEMBL7328650

COc1ccc(-c2ccc3[nH]ccc3c2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.70
DYRK3 O43781 1/20 0.60
CCNT1 O60563 1/20 0.60
CDK9 P50750 1/20 0.60
CDK5 Q00535 1/20 0.60
DYRK1A Q13627 1/20 0.60
CDK5R1 Q15078 1/20 0.60
DYRK2 Q92630 1/20 0.60
DYRK1B Q9Y463 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.58
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
ULK1 O75385 1/20 0.50
NPC1 O15118 1/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
LRRK2 Q5S007 3/20 0.48
CHRNA7 P36544 2/20 0.47
KCNH2 Q12809 2/20 0.47
PIK3CD O00329 1/20 0.47

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
SCHEMBL15759024 0.88 MAP3K11 (0.60) MAP3K11DYRK3CCNT1CDK9CDK5
SCHEMBL7089345 0.88 MAP3K11 (0.56) MAP3K11DYRK3CCNT1CDK9CDK5
SCHEMBL2522333 0.88 MAP3K11 (0.80) MAP3K11DYRK3CCNT1CDK9CDK5
SCHEMBL721794 0.83 MAP3K11 (1.00) MAP3K11DYRK1ADYRK2DYRK1BLRRK2
SCHEMBL414175 0.82 BRD4 (0.63) MAP3K11DYRK3CDK5DYRK1ADYRK1B
SCHEMBL31735806 0.82 DYRK1A (0.53) MAP3K11DYRK3CCNT1CDK9CDK5
SCHEMBL12680497 0.81 NPC1 (0.56) MAP3K11DYRK1ADYRK2DYRK1BNPC1
SCHEMBL7273777 0.78 LOXL2 (0.61) MAP3K11LOXL2PDGFRBPDGFRAHSD17B1
SCHEMBL1149903 0.77 MAP3K11 (0.47) MAP3K11DYRK3CCNT1CDK9CDK5
SCHEMBL29547936 0.77 MAP3K11 (0.47) MAP3K11DYRK3CCNT1CDK9CDK5

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
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed