SCHEMBL6919912

SCHEMBL6919912

CNC(=O)c1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
CGAS Q8N884 1/20 0.38
NTRK1 P04629 2/20 0.37
PIN1 Q13526 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
ADORA2A P29274 1/20 0.35
GAA P10253 1/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6538327 0.91 MAPT (0.38) TP53POLBCGASNTRK1FGFR1
SCHEMBL6539045 0.84 ALDH1A1 (0.44) TP53POLBADORA2AKDM4EMAPT
SCHEMBL6539012 0.83 POLB (0.42) TP53POLBADORA2AKDM4EMAPT
SCHEMBL6920831 0.82 TP53 (0.39) TP53POLBADORA2AKDM4EMAPT
SCHEMBL6539298 0.81 BAZ2B (0.49) TP53POLBNTRK1FGFR1FGFR2
SCHEMBL6538393 0.80 TP53 (0.36) TP53POLBADORA2AKDM4EMAPT
SCHEMBL6538457 0.79 MAPT (0.41) TP53POLBFGFR1FGFR2FGFR4
SCHEMBL6538844 0.79 TP53 (0.37) TP53POLBADORA2AMAPTLMNA
SCHEMBL6538773 0.78 KMT2A (0.37) TP53POLBKDM4EMAPT
SCHEMBL6538474 0.78 RET (0.41) TP53POLBADORA2AKDM4EMAPT

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-2004022540-A2 PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-18 WO disclosed