SCHEMBL16180347

SCHEMBL16180347

Nc1cc(-c2nc(-c3ccccc3)sc2Br)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.50
DBF4 Q9UBU7 6/20 0.50
MAPK14 Q16539 1/20 0.43
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KHK P50053 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 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
SCHEMBL14849638 0.79 PTGDR2 (0.50) CDC7DBF4CCNE1CDK2ALDH1A1
SCHEMBL66549 0.79 CDC7 (0.60) CDC7DBF4MAPK14CCNE1CDK2
SCHEMBL12491310 0.78 MAPK14 (0.45) CDC7DBF4MAPK14CCNE1CDK2
SCHEMBL16180657 0.77 MAPK14 (0.40) CDC7DBF4MAPK14ALDH1A1KDM4E
SCHEMBL1836488 0.72 DYRK1A (0.58) CDC7LRRK2MEN1KMT2ADYRK1A
SCHEMBL29432628 0.72 DYRK1A (0.58) CDC7LRRK2MEN1KMT2ADYRK1A
SCHEMBL11381340 0.71 ADORA3 (0.50) MEN1ALDH1A1KMT2AKDM4EGLA
Bromide SCHEMBL5752578 0.70 DYRK1A (0.56) CDC7LRRK2MEN1KMT2ADYRK1A
SCHEMBL16937936 0.70 CDC7 (0.49) CDC7DBF4MAPK14CCNE1CDK2
SCHEMBL14832763 0.70 ALOX5 (0.41) CDC7DBF4ALDH1A1KDM4EMAPT

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-2014172639-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-10-23 WO disclosed