SCHEMBL5434451

SCHEMBL5434451

O=C1Nc2ccc3ncsc3c2/C1=C\Nc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.53
TLK2 Q86UE8 1/20 0.53
NEK7 Q8TDX7 1/20 0.53
NEK6 Q9HC98 1/20 0.53
GSK3B P49841 7/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
PLEC Q15149 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL5434456 1.00 MAP3K11 (0.53) MAP3K11TLK2NEK7NEK6GSK3B
SCHEMBL5873752 1.00 MAP3K11 (0.53) MAP3K11TLK2NEK7NEK6GSK3B
SCHEMBL5873846 0.88 TLK2 (0.50) MAP3K11TLK2NEK7NEK6KMT2A
SCHEMBL5873853 0.88 TLK2 (0.50) MAP3K11TLK2NEK7NEK6KMT2A
SCHEMBL5184102 0.87 MAP3K11 (0.49) MAP3K11TLK2NEK7NEK6GSK3B
SCHEMBL5873814 0.87 TLK2 (0.49) MAP3K11TLK2NEK7NEK6KMT2A
SCHEMBL5184105 0.87 MAP3K11 (0.49) MAP3K11TLK2NEK7NEK6GSK3B
SCHEMBL5873810 0.87 TLK2 (0.49) MAP3K11TLK2NEK7NEK6KMT2A
SCHEMBL5428656 0.87 TLK2 (0.51) MAP3K11TLK2NEK7NEK6KMT2A
SCHEMBL5428650 0.87 TLK2 (0.51) MAP3K11TLK2NEK7NEK6KMT2A

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
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US claimed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP claimed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed