SCHEMBL6161254

SCHEMBL6161254

c1ccc(-n2cc(-c3ccncc3)c3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.77
HTR6 P50406 3/20 0.58
KCNH2 Q12809 4/20 0.56
GSK3B P49841 4/20 0.56
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
HTT P42858 1/20 0.52
PTGER1 P34995 1/20 0.48
NFATC1 O95644 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CDC7 O00311 2/20 0.43
CDK2 P24941 2/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL22214644 0.88 DYRK1A (0.62) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL1883807 0.88 KDM4E (0.58) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL13335069 0.86 KDM4E (0.57) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL9265311 0.84 DYRK1A (0.57) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL12091869 0.84 DYRK1A (0.56) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL22214642 0.84 DYRK1A (0.56) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL22214768 0.83 DYRK1A (0.56) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL13335089 0.82 KDM4E (0.57) DYRK1AHTR6KCNH2GSK3BKDM4E
SCHEMBL12177017 0.82 KDM4E (0.64) DYRK1AKCNH2GSK3BKDM4EPOLB
SCHEMBL22214767 0.81 DYRK1A (0.53) DYRK1AHTR6KCNH2GSK3BKDM4E

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed