SCHEMBL6746640

SCHEMBL6746640

O=C1Cc2ccc(-c3cncs3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.49
CMA1 P23946 2/20 0.49
CRBN Q96SW2 3/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
EIF2AK2 P19525 1/20 0.47
KDM1A O60341 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PDK2 Q15119 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
TDP2 O95551 2/20 0.41
S1PR1 P21453 1/20 0.40
CD38 P28907 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL6746651 0.78 CYP11B1 (0.55) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL6743185 0.78 CRBN (0.50) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL6744175 0.78 PDE3B (0.76) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL29850050 0.78 PDE3B (0.76) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL5873746 0.77 SLC6A11 (0.52) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL6746667 0.75 CRBN (0.48) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL23143485 0.75 KDM1A (0.52) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL29899622 0.75 CYP11B1 (0.79) CRBNPDE3BPDE3ACYP1A2CYP11B1
SCHEMBL6742551 0.75 CRBN (0.50) AHRCMA1CRBNPDE3BPDE3A
SCHEMBL29899650 0.75 KDM1A (0.52) AHRCMA1CRBNPDE3BPDE3A

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
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed