SCHEMBL7532630

SCHEMBL7532630

NC(=O)c1n[nH]c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.55
CHEK1 O14757 7/20 0.54
CDK7 P50613 4/20 0.54
DYRK1A Q13627 2/20 0.49
WNT1 P04628 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
GSK3B P49841 2/20 0.46
KCNH2 Q12809 1/20 0.46
PARP1 P09874 4/20 0.45
GRM2 Q14416 1/20 0.44
PDPK1 O15530 1/20 0.42
CHUK O15111 1/20 0.42
MAPK8 P45983 1/20 0.42
CAMKK2 Q96RR4 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
SCHEMBL28079206 0.81 DYRK1A (0.69) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL6672160 0.80 GSK3B (0.43) DYRK1AGSK3BKCNH2
SCHEMBL6667777 0.80 RAB9A (0.55) JAK2DYRK1AWNT1GSK3BKCNH2
SCHEMBL6667774 0.80 CHEK1 (0.46) JAK2CHEK1CDK7DYRK1AGSK3B
SCHEMBL17095915 0.77 DYRK1A (0.82) JAK2DYRK1AWNT1CLK2CLK3
SCHEMBL6672697 0.74 JAK2 (0.40) JAK2CHEK1CDK7DYRK1AWNT1
SCHEMBL28775990 0.74 DYRK1A (0.61) JAK2DYRK1AWNT1CLK2CLK3
SCHEMBL6670245 0.73 FLT3 (0.40) JAK2CHEK1CDK7DYRK1AWNT1
SCHEMBL1966636 0.72 DYRK1A (0.55) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL9906854 0.72 JAK2 (0.55) JAK2CHEK1CDK7GSK3BKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO claimed
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO disclosed