SCHEMBL17875019

SCHEMBL17875019

N=Cc1c[nH]c2ncccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.69
AXL P30530 1/20 0.55
GPR84 Q9NQS5 1/20 0.53
LRRK2 Q5S007 1/20 0.50
CHEK1 O14757 2/20 0.49
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
HASPIN Q8TF76 3/20 0.47
PDPK1 O15530 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA2 P20248 1/20 0.46
CCNA1 P78396 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MET P08581 2/20 0.46
TGFBR1 P36897 2/20 0.45
MAP2K1 Q02750 1/20 0.45
IKBKE Q14164 1/20 0.45
DYRK1A Q13627 1/20 0.44
CDC7 O00311 2/20 0.43

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
SCHEMBL28322044 0.85 KMT2A (0.69) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL257134 0.81 KMT2A (1.00) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL28007617 0.81 KMT2A (0.69) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL29768778 0.81 KMT2A (1.00) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL1772824 0.81 KMT2A (0.69) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL29768777 0.81 KMT2A (1.00) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL30165674 0.81 KMT2A (0.69) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL3563747 0.77 KMT2A (0.63) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL28784312 0.77 KMT2A (0.63) KMT2AAXLGPR84LRRK2CHEK1
SCHEMBL3563749 0.77 KMT2A (0.63) KMT2AAXLGPR84LRRK2CHEK1

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
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed