SCHEMBL6207587

SCHEMBL6207587

O=c1[nH]cnc2cc3[nH]ccc3cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.60
ALDH1A1 P00352 1/20 0.54
PARP1 P09874 10/20 0.50
CHEK1 O14757 2/20 0.50
PIM1 P11309 2/20 0.50
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
PIM3 Q86V86 1/20 0.50
RPS6KA3 P51812 1/20 0.50
PDPK1 O15530 1/20 0.47
CA12 O43570 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA9 Q16790 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
IP6K1 Q92551 5/20 0.46
SLC2A1 P11166 1/20 0.45
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44

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
SCHEMBL2921734 0.77 PARP1 (0.61) MKNK1ALDH1A1PARP1CHEK1PIM1
SCHEMBL29744436 0.77 PARP1 (0.61) MKNK1ALDH1A1PARP1CHEK1PIM1
SCHEMBL9313899 0.77 MAPT (0.48) ALDH1A1SMN1; SMN2
SCHEMBL13948933 0.77 MKNK1 (0.60) MKNK1ALDH1A1PARP1CHEK1PIM1
SCHEMBL11263951 0.75 MKNK1 (1.00) MKNK1ALDH1A1PARP1CHEK1PIM1
SCHEMBL9379086 0.73 ALDH1A1 (0.46) MKNK1ALDH1A1PARP1CHEK1PIM1
SCHEMBL7076189 0.73 MKNK1 (0.56) MKNK1ALDH1A1PARP1CHEK1PIM1
SCHEMBL4498108 0.73 MAPT (0.48) ALDH1A1
SCHEMBL29898482 0.70 ALDH1A1 (1.00) ALDH1A1PARP1CHEK1PIM1AKT1
SCHEMBL643424 0.70 ALDH1A1 (1.00) ALDH1A1PARP1CHEK1PIM1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
EP-0907642-B1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER (US) 2005-11-02 EP disclosed
US-6335344-B1 Phenylamino-substituted tricyclic derivatives for treatment of hyperproliferative diseases PFIZER INC. 2002-01-01 US disclosed