SCHEMBL6258779

SCHEMBL6258779

NC(=O)Nc1ccc(C(N)=O)cc1-c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.34
CHEK2 O96017 5/20 0.34
PLAU P00749 1/20 0.34
CYP1A2 P05177 1/20 0.33
CDK2 P24941 3/20 0.33
CHEK1 O14757 2/20 0.33
FYN P06241 2/20 0.33
F10 P00742 1/20 0.33
TOP2A P11388 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
MAPK13 O15264 1/20 0.33
PDPK1 O15530 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL27721400 0.84 NPC1 (0.41) CYP1A2CDK2CDK1ALDH1A1CCNE2
SCHEMBL6184029 0.84 HIF1A (0.40)
SCHEMBL6188567 0.82 ALDH1A1 (0.44) MAPK1FLT3PDK2ALDH1A1AR
SCHEMBL6231660 0.81 ALDH1A1 (0.41) CYP1A2CDK2CDK1ALDH1A1CCNE2
SCHEMBL27449399 0.81 KIF11 (0.46) CYP1A2TOP2ANTRK1ALDH1A1
SCHEMBL6782273 0.80 CYP1A2 (0.41) CHEK2CYP1A2ALDH1A1
SCHEMBL17826231 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL23752073 0.78 KCNMA1 (0.50) CSF1RFYNABL1NTRK1LCK
SCHEMBL1577476 0.76 PARP1 (0.40) CHEK2CDK2PDK2ARCCNE2
SCHEMBL3376022 0.76 CHEK2 (0.43) CHEK2CDK2CHEK1CDC7PLK4

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-1526851-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES RESPONSIVE TO ANTIANGIOGENETIC THERAPY NEUROSEARCH A/S (DK) 2005-05-04 EP disclosed
WO-2004012733-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES RESPONSIVE TO ANTIANGIOGENETIC THERAPY NEUROSEARCH A/S (DK) 2004-02-12 WO disclosed