SCHEMBL9870207

SCHEMBL9870207

FC(F)(F)c1cccc(-c2ccnc3nccn23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
DYRK1A Q13627 4/20 0.45
DYRK2 Q92630 4/20 0.45
ALDH1A1 P00352 1/20 0.45
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
DYRK1B Q9Y463 3/20 0.44
KMO O15229 1/20 0.43
BACE1 P56817 1/20 0.43
HSD17B10 Q99714 1/20 0.42
DYRK3 O43781 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
EGLN2 Q96KS0 1/20 0.41
SCN2A Q99250 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5259449 0.83 BACE1 (0.64) KDM4EDYRK1ADYRK2ALDH1A1CCNA2
SCHEMBL9870239 0.82 KDM4E (0.43) KDM4EDYRK1ADYRK2ALDH1A1CCNA2
SCHEMBL11468935 0.77 KDM4E (0.56) KDM4EDYRK1ADYRK2ALDH1A1EGLN2
SCHEMBL11465545 0.77 BRD9 (0.53) KDM4EDYRK1ADYRK2CCNA2CDK2
SCHEMBL9869687 0.77 BACE1 (0.68) KDM4EDYRK1ADYRK2ALDH1A1CCNA2
SCHEMBL11467433 0.75 KDM4E (0.54) KDM4EDYRK1ADYRK2ALDH1A1CCNA2
SCHEMBL11467467 0.75 KDM4E (0.54) KDM4EDYRK1ADYRK2ALDH1A1CCNA2
SCHEMBL11466008 0.75 KDM4E (0.51) KDM4EDYRK1ADYRK2CCNA2CDK2
SCHEMBL11463852 0.75 KDM4E (0.51) KDM4EDYRK1ADYRK2CCNA2CDK2
SCHEMBL11482395 0.74 KDM4E (0.54) KDM4EDYRK1ADYRK2ALDH1A1CCNA2

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
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US claimed
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US disclosed